<div id="pf1" class="pf w0 h0" data-page-no="1"><div class="pc pc1 w0 h0"><img class="bi x0 y0 w0 h1" alt="" src="https://files.passeidireto.com/f31c30b6-55bc-420a-97d2-b3d8d5071f06/bg1.png"></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,0.000000,0.000000]}'></div></div> <div id="pf2" class="pf w1 h2" data-page-no="2"><div class="pc pc2 w1 h2"><div class="c x0 y0 w2 h2"><div class="t m0 x1 h3 y1 ff1 fs0 fc0 sc0 ls0 ws0">APPLICA<span class="_0 blank"></span>TIONS OF NEUTRON POWDER DIFFRACTION</div></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf3" class="pf w1 h2" data-page-no="3"><div class="pc pc3 w1 h2"><img fetchpriority="low" loading="lazy" class="bi x2 y2 w3 h4" alt="" src="https://files.passeidireto.com/f31c30b6-55bc-420a-97d2-b3d8d5071f06/bg3.png"><div class="c x0 y0 w2 h2"><div class="t m0 x3 h5 y3 ff1 fs1 fc0 sc0 ls0 ws1">OXFORD SERIES ON NEUTRON SCA<span class="_0 blank"></span>TTERING IN</div><div class="t m0 x4 h5 y4 ff1 fs1 fc0 sc0 ls0 ws2">CONDENSED MA<span class="_0 blank"></span>TTER</div><div class="t m0 x5 h3 y5 ff1 fs0 fc0 sc0 ls0 ws3">1.<span class="_1 blank"> </span>W<span class="_0 blank"></span>.G<span class="_0 blank"></span>. W<span class="_2 blank"></span>illiams: <span class="ff2 ws0">Polarized neutrons</span></div><div class="t m0 x5 h3 y6 ff1 fs0 fc0 sc0 ls0 ws4">2.<span class="_1 blank"> </span>E. Balcar and S.W<span class="_3 blank"></span>. Lovesey: <span class="ff2 ws5">Theory of magnetic neutr<span class="_2 blank"></span>on</span></div><div class="t m0 x6 h6 y7 ff2 fs0 fc0 sc0 ls0 ws6">and photon scattering</div><div class="t m0 x5 h3 y8 ff1 fs0 fc0 sc0 ls0 ws7">3.<span class="_1 blank"> </span>V<span class="_0 blank"></span>.F<span class="_0 blank"></span>. Sears: <span class="ff2 ws8">Neutron optics</span></div><div class="t m0 x5 h3 y9 ff1 fs0 fc0 sc0 ls0 ws9">4.<span class="_1 blank"> </span>M.F<span class="_3 blank"></span>. Collins: <span class="ff2 ws6">Magnetic critical scattering</span></div><div class="t m0 x5 h3 ya ff1 fs0 fc0 sc0 ls0 ws5">5.<span class="_1 blank"> </span>V<span class="_0 blank"></span>.K. Ignatovich: <span class="ff2 ws8">The physics of ultracold neutr<span class="_3 blank"></span>ons</span></div><div class="t m0 x5 h3 yb ff1 fs0 fc0 sc0 ls0 wsa">6.<span class="_1 blank"> </span>Y<span class="_0 blank"></span>u. A. Alexandrov:<span class="_4 blank"> </span><span class="ff2 ws5">Fundamental pr<span class="_2 blank"></span>operties of the neutr<span class="_2 blank"></span>on</span></div><div class="t m0 x5 h3 yc ff1 fs0 fc0 sc0 ls0 wsb">7.<span class="_1 blank"> </span>P<span class="_0 blank"></span>.A.<span class="_5 blank"> </span>Egelstaff: <span class="ff2 ws8">An intr<span class="_3 blank"></span>oduction to the liquid state</span></div><div class="t m0 x5 h3 yd ff1 fs0 fc0 sc0 ls0 wsc">8.<span class="_1 blank"> </span>J.S. Higgins and H.C. Beno</div><div class="t m0 x7 h7 ye ff3 fs0 fc0 sc0 ls0">\u02c6</div><div class="t m0 x7 h3 yd ff1 fs0 fc0 sc0 ls1 wsd">\u0131t: <span class="ff2 ls0 ws5">Polymers and neutr<span class="_2 blank"></span>on scattering</span></div><div class="t m0 x5 h3 yf ff1 fs0 fc0 sc0 ls0 ws4">9.<span class="_1 blank"> </span>H. Glyde: <span class="ff2 wse">Excitations in liquid and solid helium</span></div><div class="t m0 x2 h3 y10 ff1 fs0 fc0 sc0 ls0 ws8">10.<span class="_1 blank"> </span>V<span class="_0 blank"></span>. Balucani and M. Zoppi: <span class="ff2 ws5">Dynamics of the liquid state</span></div><div class="t m0 x2 h3 y11 ff1 fs0 fc0 sc0 ls0 wse">1<span class="_2 blank"></span>1.<span class="_1 blank"> </span>T<span class="_3 blank"></span>.J. Hicks: <span class="ff2 ws8">Magnetism in disor<span class="_2 blank"></span>der</span></div><div class="t m0 x2 h3 y12 ff1 fs0 fc0 sc0 ls0 wsf">12.<span class="_1 blank"> </span>H.<span class="_5 blank"> </span>Rauch and<span class="_5 blank"> </span>S. W<span class="_3 blank"></span>erner: <span class="ff2 ws8">Neutron interfer<span class="_3 blank"></span>ometry</span></div><div class="t m0 x2 h3 y13 ff1 fs0 fc0 sc0 ls0 ws10">13.<span class="_1 blank"> </span>R. Hempelmann: <span class="ff2 ws5">Quasielastic neutron scattering and solid state diffusion</span></div><div class="t m0 x2 h3 y14 ff1 fs0 fc0 sc0 ls0 ws11">14.<span class="_1 blank"> </span>D.A. Kean and V<span class="_0 blank"></span>.M. Nield: <span class="ff2 ws5">Diffuse neutr<span class="_3 blank"></span>on scattering</span></div><div class="t m0 x6 h6 y15 ff2 fs0 fc0 sc0 ls0 ws5">fr<span class="_2 blank"></span>om crystalline materials</div><div class="t m0 x2 h3 y16 ff1 fs0 fc0 sc0 ls0 wsc">15.<span class="_1 blank"> </span>E.H. Kisi and C.J. Howard: <span class="ff2 ws5">Applications of neutr<span class="_2 blank"></span>on powder diffraction</span></div></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf4" class="pf w1 h2" data-page-no="4"><div class="pc pc4 w1 h2"><img fetchpriority="low" loading="lazy" class="bi x2 y17 w3 h4" alt="" src="https://files.passeidireto.com/f31c30b6-55bc-420a-97d2-b3d8d5071f06/bg4.png"><div class="c x0 y0 w2 h2"><div class="t m0 x1 h8 y18 ff1 fs2 fc0 sc0 ls0 ws13">APPLICA<span class="_6 blank"></span>TIONS OF</div><div class="t m0 x8 h8 y19 ff1 fs2 fc0 sc0 ls0 ws12">NEUTRON POWDER</div><div class="t m0 x9 h8 y1a ff1 fs2 fc0 sc0 ls0">DIFFRACTION</div><div class="t m0 xa h9 y1b ff1 fs3 fc0 sc0 ls0 ws14">Erich H. Kisi</div><div class="t m0 xb h6 y1c ff2 fs0 fc0 sc0 ls0 ws8">School of Engineering, The University of Newcastle,</div><div class="t m0 xc h6 y1d ff2 fs0 fc0 sc0 ls0">Australia</div><div class="t m0 xd h9 y1e ff1 fs3 fc0 sc0 ls0 ws15">Christopher J. Howard</div><div class="t m0 xb h6 y1f ff2 fs0 fc0 sc0 ls0 ws8">School of Engineering, The University of Newcastle,</div><div class="t m0 xc h6 y20 ff2 fs0 fc0 sc0 ls0">Australia</div><div class="t m0 xa ha y21 ff4 fs4 fc0 sc0 ls0">1</div></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf5" class="pf w1 h2" data-page-no="5"><div class="pc pc5 w1 h2"><div class="c x0 y0 w2 h2"><div class="t m0 x7 hb y22 ff4 fs5 fc0 sc0 ls0">3</div><div class="t m0 xe hc y23 ff1 fs6 fc0 sc0 ls0 ws16">Great Clarendon Street, Oxford OX2 6DP</div><div class="t m0 x9 hc y24 ff1 fs6 fc0 sc0 ls0 ws16">Oxford University Press is a department of the University of Oxford.</div><div class="t m0 xb hc y25 ff1 fs6 fc0 sc0 ls0 ws17">It furthers the University\u2019<span class="_2 blank"></span>s objective of excellence in research, scholarship,</div><div class="t m0 xe hc y26 ff1 fs6 fc0 sc0 ls0 ws18">and education by publishing worldwide in</div><div class="t m0 xf hc y27 ff1 fs6 fc0 sc0 ls0 ws19">Oxford<span class="_7 blank"> </span>New Y<span class="_3 blank"></span>ork</div><div class="t m0 x10 hc y28 ff1 fs6 fc0 sc0 ls0 ws1a">Auckland<span class="_7 blank"> </span>Cape T<span class="_3 blank"></span>own<span class="_7 blank"> </span>Dar es Salaam<span class="_7 blank"> </span>Hong Kong<span class="_7 blank"> </span>Karachi</div><div class="t m0 x11 hc y29 ff1 fs6 fc0 sc0 ls0 ws1b">Kuala Lumpur<span class="_7 blank"> </span>Madrid<span class="_7 blank"> </span>Melbourne<span class="_7 blank"> </span>Mexico City<span class="_7 blank"> </span>Nairobi</div><div class="t m0 x12 hc y2a ff1 fs6 fc0 sc0 ls0 ws1c">New Delhi<span class="_7 blank"> </span>Shanghai<span class="_7 blank"> </span>T<span class="_3 blank"></span>aipei<span class="_7 blank"> </span>T<span class="_3 blank"></span>oronto</div><div class="t m0 x13 hc y2b ff1 fs6 fc0 sc0 ls0 ws1d">W<span class="_2 blank"></span>ith of\ufb01ces in</div><div class="t m0 x14 hc y2c ff1 fs6 fc0 sc0 ls0 ws1e">Argentina<span class="_8 blank"> </span>Austria<span class="_7 blank"> </span>Brazil<span class="_7 blank"> </span>Chile<span class="_7 blank"> </span>Czech Republic<span class="_7 blank"> </span>France<span class="_7 blank"> </span>Greece</div><div class="t m0 x3 hc y2d ff1 fs6 fc0 sc0 ls0 ws1f">Guatemala Hungary Italy Japan Poland Portugal Singapore</div><div class="t m0 x3 hc y2e ff1 fs6 fc0 sc0 ls0 ws1a">South Korea<span class="_7 blank"> </span>Switzerland<span class="_7 blank"> </span>Thailand<span class="_9 blank"> </span>Turkey<span class="_9 blank"> </span>Ukraine<span class="_9 blank"> </span>V<span class="_2 blank"></span>ietnam</div><div class="t m0 x15 hc y2f ff1 fs6 fc0 sc0 ls0 ws17">Oxford is a registered trade mark of Oxford University Press</div><div class="t m0 x16 hc y30 ff1 fs6 fc0 sc0 ls0 ws20">in the UK and in certain other countries</div><div class="t m0 xa hc y31 ff1 fs6 fc0 sc0 ls0 ws20">Published in the United States</div><div class="t m0 x17 hc y32 ff1 fs6 fc0 sc0 ls0 ws21">by<span class="_a blank"> </span>Oxford<span class="_a blank"> </span>University<span class="_a blank"> </span>Press<span class="_a blank"> </span>Inc.,<span class="_a blank"> </span>New Y<span class="_3 blank"></span>ork</div><div class="t m0 x18 hc y33 ff1 fs6 fc0 sc0 ls0 ws16">© Oxford University Press 2008</div><div class="t m0 x19 hc y34 ff1 fs6 fc0 sc0 ls0 ws22">The moral rights of the authors have been asserted</div><div class="t m0 x1a hc y35 ff1 fs6 fc0 sc0 ls0 ws16">Database right Oxford University Press (maker)</div><div class="t m0 x1b hc y36 ff1 fs6 fc0 sc0 ls0 ws23">First Published 2008</div><div class="t m0 x1c hc y37 ff1 fs6 fc0 sc0 ls0 ws24">All rights reserved. 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Enquiries concerning reproduction</div><div class="t m0 x1f hc y3c ff1 fs6 fc0 sc0 ls0 ws24">outside the scope of the above should be sent to the Rights Department,</div><div class="t m0 x20 hc y3d ff1 fs6 fc0 sc0 ls0 ws16">Oxford University Press, at the address above</div><div class="t m0 x21 hc y3e ff1 fs6 fc0 sc0 ls0 ws17">Y<span class="_3 blank"></span>ou must not circulate this book in any other binding or cover</div><div class="t m0 x22 hc y3f ff1 fs6 fc0 sc0 ls0 ws27">and you must impose the same condition on any acquirer</div><div class="t m0 x1a hc y40 ff1 fs6 fc0 sc0 ls0 ws28">British Library Cataloguing in Publication Data</div><div class="t m0 x13 hc y41 ff1 fs6 fc0 sc0 ls0 ws22">Data available</div><div class="t m0 xd hc y42 ff1 fs6 fc0 sc0 ls0 ws28">Library of Congress Cataloging in Publication Data</div><div class="t m0 x13 hc y43 ff1 fs6 fc0 sc0 ls0 ws22">Data available</div><div class="t m0 x21 hc y44 ff1 fs6 fc0 sc0 ls0 ws1d">T<span class="_3 blank"></span>ypeset by Newgen Imaging Systems (P) Ltd., Chennai, India</div><div class="t m0 x23 hc y45 ff1 fs6 fc0 sc0 ls0 ws20">Printed in Great Britain</div><div class="t m0 x1b hc y46 ff1 fs6 fc0 sc0 ls0 ws29">on acid-free paper by</div><div class="t m0 x18 hc y47 ff1 fs6 fc0 sc0 ls0 ws2a">Biddles Ltd., www<span class="_2 blank"></span>.biddles.co.uk</div><div class="t m0 x24 hc y48 ff1 fs6 fc0 sc0 ls0 ws2b">ISBN 978\u20130\u201319\u2013851594\u20134</div><div class="t m0 x7 hc y49 ff1 fs6 fc0 sc0 ls2 ws2c">135791<span class="_b blank"></span>08642</div></div><a class="l" href="http://www.biddles.co.uk"><div class="d m1" style="border-style:none;position:absolute;left:189.451000px;bottom:215.551989px;width:53.492000px;height:7.769000px;background-color:rgba(255,255,255,0.000001);"></div></a></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf6" class="pf w1 h2" data-page-no="6"><div class="pc pc6 w1 h2"><img fetchpriority="low" loading="lazy" class="bi x2 y4a w3 h4" alt="" src="https://files.passeidireto.com/f31c30b6-55bc-420a-97d2-b3d8d5071f06/bg6.png"><div class="c x0 y0 w2 h2"><div class="t m0 x23 hd y4b ff1 fs7 fc0 sc0 ls0">Contents</div><div class="t m0 x2 he y4c ff5 fs0 fc0 sc0 ls0 ws2d">Preface ix</div><div class="t m0 x2 he y4d ff5 fs0 fc0 sc0 ls0 ws2e">Acknowledgements xi</div><div class="t m0 x2 he y4e ff5 fs0 fc0 sc0 ls0 ws2f">Image Acknowledgements<span class="_c blank"> </span>xii</div><div class="t m0 x2 he y4f ff5 fs0 fc0 sc0 ls0 ws30">Glossary of symbols<span class="_d blank"> </span>xiii</div><div class="t m0 x2 he y50 ff5 fs0 fc0 sc0 ls0 ws31">1<span class="_e blank"> </span>Introduction to neutron powder diffraction<span class="_f blank"> </span>1</div><div class="t m0 x25 h3 y51 ff1 fs0 fc0 sc0 ls0 ws8">1.1<span class="_10 blank"> </span>What is neutron powder diffraction?<span class="_11 blank"> </span>1</div><div class="t m0 x25 h3 y52 ff1 fs0 fc0 sc0 ls0 ws8">1.2<span class="_10 blank"> </span>The role of neutron powder diffraction<span class="_12 blank"> </span>2</div><div class="t m0 x25 h3 y53 ff1 fs0 fc0 sc0 ls0 wse">1.3<span class="_10 blank"> </span>Milestones in the development of neutron powder diffraction<span class="_13 blank"> </span>3</div><div class="t m0 x2 he y54 ff5 fs0 fc0 sc0 ls0 ws8">2<span class="_e blank"> </span>Theory \u2013 the bar<span class="_2 blank"></span>e essentials<span class="_14 blank"> </span>18</div><div class="t m0 x25 h3 y55 ff1 fs0 fc0 sc0 ls0 ws6">2.1<span class="_10 blank"> </span>Neutrons for diffraction<span class="_14 blank"> </span>18</div><div class="t m0 x25 h3 y56 ff1 fs0 fc0 sc0 ls0 ws32">2.2<span class="_10 blank"> </span>Samples for diffraction \u2013 the structure of condensed matter<span class="_15 blank"> </span>20</div><div class="t m0 x25 h3 y57 ff1 fs0 fc0 sc0 ls0 ws8">2.3<span class="_10 blank"> </span>Neutron scattering by the sample<span class="_16 blank"> </span>39</div><div class="t m0 x25 h3 y58 ff1 fs0 fc0 sc0 ls0 wsc">2.4<span class="_10 blank"> </span>The powder diffraction pattern<span class="_17 blank"> </span>49</div><div class="t m0 x2 he y59 ff5 fs0 fc0 sc0 ls0 ws33">3<span class="_e blank"> </span>Basic instrumentation and experimental techniques<span class="_18 blank"> </span>65</div><div class="t m0 x25 h3 y5a ff1 fs0 fc0 sc0 ls0 ws8">3.1<span class="_10 blank"> </span>Where to find neutron powder diffraction facilities<span class="_19 blank"> </span>65</div><div class="t m0 x25 h3 y5b ff1 fs0 fc0 sc0 ls0 ws34">3.2<span class="_10 blank"> </span>Constant wavelength neutron diffractometers<span class="_1a blank"> </span>70</div><div class="t m0 x25 h3 y5c ff1 fs0 fc0 sc0 ls0 ws11">3.3<span class="_10 blank"> </span>TOF neutron dif<span class="_2 blank"></span>fractometers<span class="_1b blank"> </span>77</div><div class="t m0 x25 h3 y5d ff1 fs0 fc0 sc0 ls0 ws35">3.4<span class="_10 blank"> </span>Comparison<span class="_5 blank"> </span>of CW and TOF diffractometers<span class="_1c blank"> </span>80</div><div class="t m0 x25 h3 y5e ff1 fs0 fc0 sc0 ls0 ws0">3.5<span class="_10 blank"> </span>Experiment design<span class="_1d blank"> </span>80</div><div class="t m0 x25 h3 y5f ff1 fs0 fc0 sc0 ls0 ws6">3.6<span class="_10 blank"> </span>Sample preparation<span class="_1e blank"> </span>100</div><div class="t m0 x2 he y60 ff5 fs0 fc0 sc0 ls0 ws34">4<span class="_e blank"> </span>Elements of data analysis<span class="_1f blank"> </span>106</div><div class="t m0 x25 h3 y61 ff1 fs0 fc0 sc0 ls0 ws36">4.1 Preliminaries<span class="_20 blank"> </span>106</div><div class="t m0 x25 h3 y62 ff1 fs0 fc0 sc0 ls0 wsc">4.2<span class="_10 blank"> </span>V<span class="_3 blank"></span>isual inspection<span class="_c blank"> </span>109</div><div class="t m0 x25 h3 y63 ff1 fs0 fc0 sc0 ls0 wsc">4.3<span class="_10 blank"> </span>Phase identification<span class="_21 blank"> </span>1<span class="_2 blank"></span>13</div><div class="t m0 x25 h3 y64 ff1 fs0 fc0 sc0 ls0 ws8">4.4<span class="_10 blank"> </span>Unit cell parameters<span class="_22 blank"> </span>1<span class="_2 blank"></span>18</div></div><a class="l" href="#pfa" data-dest-detail='[10,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:472.768989px;width:322.219300px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pfc" data-dest-detail='[12,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:35.574800px;bottom:447.190989px;width:322.767200px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pfd" data-dest-detail='[13,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:421.614989px;width:322.219300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pfe" data-dest-detail='[14,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:396.037989px;width:322.220300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pf14" data-dest-detail='[20,"XYZ",-106,682.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:364.491989px;width:322.219300px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pf14" data-dest-detail='[20,"XYZ",-106,650.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:352.216989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pf15" data-dest-detail='[21,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:339.941989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div></a><a class="l" href="#pf16" 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class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:247.014989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:215.469989px;width:322.219300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:203.192989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:190.917989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:178.641989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:166.364989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:154.088989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:141.812989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.121700px;bottom:110.267989px;width:322.220300px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:97.991989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:85.715389px;width:307.302700px;height:11.098600px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:73.439189px;width:307.302700px;height:11.098500px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.039300px;bottom:61.162889px;width:307.302700px;height:11.098500px;background-color:rgba(255,255,255,0.000001);"></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf7" class="pf w1 h2" data-page-no="7"><div class="pc pc7 w1 h2"><div class="c x0 y0 w2 h2"><div class="t m0 x2 h3 y65 ff1 fs0 fc0 sc0 ls0 ws37">vi <span class="ff2">Contents</span></div><div class="t m0 x25 h3 y66 ff1 fs0 fc0 sc0 ls0 ws8">4.5<span class="_10 blank"> </span>Peak shapes and widths<span class="_23 blank"> </span>124</div><div class="t m0 x25 h3 y67 ff1 fs0 fc0 sc0 ls0 wsc">4.6<span class="_10 blank"> </span>Whole pattern fitting<span class="_24 blank"> </span>131</div><div class="t m0 x2 he y68 ff5 fs0 fc0 sc0 ls0 ws33">5<span class="_e blank"> </span>Crystal structures<span class="_25 blank"> </span>134</div><div class="t m0 x25 h3 y69 ff1 fs0 fc0 sc0 ls0 wsc">5.1<span class="_10 blank"> </span>Neutron powder diffraction and crystal structures<span class="_26 blank"> </span>134</div><div class="t m0 x25 h3 y6a ff1 fs0 fc0 sc0 ls0 ws38">5.2<span class="_10 blank"> </span>More crystallography \u2013 description of crystal structures<span class="_27 blank"> </span>135</div><div class="t m0 x25 h3 y6b ff1 fs0 fc0 sc0 ls0 wse">5.3<span class="_10 blank"> </span>Reflection conditions and space group determination<span class="_28 blank"> </span>146</div><div class="t m0 x25 h3 y6c ff1 fs0 fc0 sc0 ls0 ws0">5.4<span class="_10 blank"> </span>Solving structures<span class="_29 blank"> </span>150</div><div class="t m0 x25 h3 y6d ff1 fs0 fc0 sc0 ls0 ws8">5.5<span class="_10 blank"> </span>Structure refinement \u2013 the Rietveld method<span class="_2a blank"> </span>155</div><div class="t m0 x25 h3 y6e ff1 fs0 fc0 sc0 ls0 wsc">5.6<span class="_10 blank"> </span>Le Bail extraction<span class="_2b blank"> </span>177</div><div class="t m0 x25 h3 y6f ff1 fs0 fc0 sc0 ls0 ws39">5.7<span class="_10 blank"> </span>Practical considerations in structure refinement<span class="_2c blank"> </span>178</div><div class="t m0 x25 h3 y70 ff1 fs0 fc0 sc0 ls0 ws8">5.8<span class="_10 blank"> </span>Structure solution and refinement \u2013 examples<span class="_2d blank"> </span>182</div><div class="t m0 x2 hf y71 ff5 fs0 fc0 sc0 ls3">6<span class="ff6 ls0 ws11">Ab initio </span><span class="ls0 ws3a">structure solution<span class="_14 blank"> </span>192</span></div><div class="t m0 x25 h3 y72 ff1 fs0 fc0 sc0 ls0 ws36">6.1 Introduction<span class="_2e blank"> </span>192</div><div class="t m0 x25 h3 y73 ff1 fs0 fc0 sc0 ls0 wsc">6.2<span class="_10 blank"> </span>Unit cell determination (powder pattern indexing)<span class="_2f blank"> </span>193</div><div class="t m0 x25 h3 y74 ff1 fs0 fc0 sc0 ls0 ws34">6.3<span class="_10 blank"> </span>Intensity extraction<span class="_30 blank"> </span>205</div><div class="t m0 x25 h3 y75 ff1 fs0 fc0 sc0 ls0 wsc">6.4<span class="_10 blank"> </span>Structure solution<span class="_31 blank"> </span>212</div><div class="t m0 x25 h3 y76 ff1 fs0 fc0 sc0 ls0 ws39">6.5<span class="_e blank"> </span>Advanced refinement techniques<span class="_32 blank"> </span>232</div><div class="t m0 x25 h3 y77 ff1 fs0 fc0 sc0 ls0 ws34">6.6<span class="_10 blank"> </span>Looking ahead<span class="_33 blank"> </span>249</div><div class="t m0 x2 he y78 ff5 fs0 fc0 sc0 ls0 ws6">7<span class="_e blank"> </span>Magnetic structures<span class="_34 blank"> </span>251</div><div class="t m0 x25 h3 y79 ff1 fs0 fc0 sc0 ls0 ws36">7.1 Introduction<span class="_2e blank"> </span>251</div><div class="t m0 x25 h3 y7a ff1 fs0 fc0 sc0 ls0 ws8">7.2<span class="_10 blank"> </span>Crystallography and symmetry of magnetic structures<span class="_35 blank"> </span>252</div><div class="t m0 x25 h3 y7b ff1 fs0 fc0 sc0 ls0 ws6">7.3<span class="_10 blank"> </span>Magnetic scattering and diffraction<span class="_36 blank"> </span>260</div><div class="t m0 x25 h3 y7c ff1 fs0 fc0 sc0 ls0 ws6">7.4<span class="_10 blank"> </span>Solving magnetic structures<span class="_37 blank"> </span>267</div><div class="t m0 x25 h3 y7d ff1 fs0 fc0 sc0 ls0 wsc">7.5<span class="_10 blank"> </span>Recent examples<span class="_38 blank"> </span>273</div><div class="t m0 x2 he y7e ff5 fs0 fc0 sc0 ls0 ws6">8<span class="_e blank"> </span>Quantitative phase analysis<span class="_39 blank"> </span>284</div><div class="t m0 x25 h3 y7f ff1 fs0 fc0 sc0 ls0 ws36">8.1 Introduction<span class="_2e blank"> </span>284</div><div class="t m0 x25 h3 y80 ff1 fs0 fc0 sc0 ls0 ws3b">8.2 Theory<span class="_3a blank"> </span>285</div><div class="t m0 x25 h3 y81 ff1 fs0 fc0 sc0 ls0 ws5">8.3<span class="_10 blank"> </span>Individual peak methods<span class="_3b blank"> </span>287</div><div class="t m0 x25 h3 y82 ff1 fs0 fc0 sc0 ls0 wsc">8.4<span class="_10 blank"> </span>Whole pattern analysis<span class="_3c blank"> </span>292</div><div class="t m0 x25 h3 y83 ff1 fs0 fc0 sc0 ls0 ws8">8.5<span class="_10 blank"> </span>Evaluation of the techniques<span class="_3d blank"> </span>293</div><div class="t m0 x25 h3 y84 ff1 fs0 fc0 sc0 ls0 ws39">8.6<span class="_10 blank"> </span>Practical examples<span class="_3e blank"> </span>294</div><div class="t m0 x2 he y85 ff5 fs0 fc0 sc0 ls0 ws31">9<span class="_e blank"> </span>Microstructural data from powder patterns<span class="_3f blank"> </span>308</div><div class="t m0 x25 h3 y86 ff1 fs0 fc0 sc0 ls0 ws36">9.1 Introduction<span class="_2e blank"> </span>308</div><div class="t m0 x25 h3 y87 ff1 fs0 fc0 sc0 ls0 ws3c">9.2<span class="_10 blank"> </span>Particle size<span class="_40 blank"> </span>309</div><div class="t m0 x25 h3 y88 ff1 fs0 fc0 sc0 ls0 ws36">9.3 Microstrains<span class="_41 blank"> </span>330</div><div class="t m0 x25 h3 y89 ff1 fs0 fc0 sc0 ls0 ws8">9.4<span class="_10 blank"> </span>Combined size and strain broadening<span class="_42 blank"> </span>340</div></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:574.427989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:562.384989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.135700px;bottom:532.007989px;width:322.220300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:519.964989px;width:307.300700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:507.923989px;width:307.300700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:495.880989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:483.837989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:471.795989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:459.752989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:447.711989px;width:307.300700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:435.668989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.135700px;bottom:405.291989px;width:322.220300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:393.248989px;width:307.303700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:381.205989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:369.164989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:357.121989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:345.079989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:333.036989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.135700px;bottom:302.659989px;width:322.219300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:290.617989px;width:307.303700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:278.576989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:266.533989px;width:307.301700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:254.491989px;width:307.301700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:242.449989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.135700px;bottom:212.072989px;width:322.220300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:200.029989px;width:307.303700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:187.986989px;width:307.303700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:175.944989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:163.901989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:151.859989px;width:307.302700px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:139.816989px;width:307.302700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.135700px;bottom:109.438989px;width:322.218300px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:97.396989px;width:307.303700px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:85.354789px;width:307.301700px;height:11.098200px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:73.312189px;width:307.302700px;height:11.098500px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.053300px;bottom:61.269589px;width:307.301700px;height:11.098500px;background-color:rgba(255,255,255,0.000001);"></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf8" class="pf w1 h2" data-page-no="8"><div class="pc pc8 w1 h2"><div class="c x0 y0 w2 h2"><div class="t m0 xc h3 y65 ff2 fs0 fc0 sc0 ls0 ws3d">Contents <span class="ff1">vii</span></div><div class="t m0 x25 h3 y66 ff1 fs0 fc0 sc0 ls0 ws8">9.5<span class="_10 blank"> </span>Chemical and physical gradients<span class="_43 blank"> </span>346</div><div class="t m0 x25 h3 y8a ff1 fs0 fc0 sc0 ls0 ws11">9.6<span class="_10 blank"> </span>Line defects \u2013 dislocation broadening<span class="_44 blank"> </span>358</div><div class="t m0 x25 h3 y8b ff1 fs0 fc0 sc0 ls0 ws8">9.7<span class="_10 blank"> </span>Plane defects and stacking disorder<span class="_45 blank"> </span>368</div><div class="t m0 x25 h3 y8c ff1 fs0 fc0 sc0 ls0 ws3b">9.8 T<span class="_3 blank"></span>exture<span class="_46 blank"> </span>374</div><div class="t m0 x2 he y8d ff5 fs0 fc0 sc0 ls0 ws3e">10<span class="_47 blank"> </span>Diffuse scattering \u2013 thermal, short-range order<span class="_0 blank"></span>, gaseous,</div><div class="t m0 x25 he y8e ff5 fs0 fc0 sc0 ls0 ws3f">liquid, and amorphous scattering<span class="_48 blank"> </span>381</div><div class="t m0 x25 h3 y8f ff1 fs0 fc0 sc0 ls0 ws40">10.1 Introduction<span class="_2e blank"> </span>381</div><div class="t m0 x25 h3 y90 ff1 fs0 fc0 sc0 ls0 ws39">10.2<span class="_49 blank"> </span>Thermal diffuse scattering<span class="_4a blank"> </span>382</div><div class="t m0 x25 h3 y91 ff1 fs0 fc0 sc0 ls0 ws5">10.3<span class="_49 blank"> </span>Short-range order scattering<span class="_4b blank"> </span>385</div><div class="t m0 x25 h3 y92 ff1 fs0 fc0 sc0 ls0 ws5">10.4<span class="_49 blank"> </span>Scattering from gases, liquids, and amorphous solids<span class="_4c blank"> </span>395</div><div class="t m0 x2 he y93 ff5 fs0 fc0 sc0 ls0 ws5">1<span class="_3 blank"></span>1<span class="_4d blank"> </span>S<span class="_2 blank"></span>tr<span class="_2 blank"></span>ess and elastic constants<span class="_4e blank"> </span>403</div><div class="t m0 x25 h3 y94 ff1 fs0 fc0 sc0 ls0 ws3e">1<span class="_2 blank"></span>1.1<span class="_4d blank"> </span>Stresses, strains, and elastic constants in</div><div class="t m0 x1 h3 y95 ff1 fs0 fc0 sc0 ls0 ws8">nature and industry<span class="_30 blank"> </span>403</div><div class="t m0 x25 h3 y96 ff1 fs0 fc0 sc0 ls0 ws41">1<span class="_2 blank"></span>1.2<span class="_4d blank"> </span>Influence of elastic strains on the powder diffraction pattern<span class="_4f blank"> </span>414</div><div class="t m0 x25 h3 y97 ff1 fs0 fc0 sc0 ls0 ws39">1<span class="_2 blank"></span>1.3<span class="_4d blank"> </span>Neutron diffraction residual stress analysis<span class="_50 blank"> </span>420</div><div class="t m0 x25 h3 y98 ff1 fs0 fc0 sc0 ls0 ws38">1<span class="_2 blank"></span>1.4<span class="_4d blank"> </span>Determination of single crystal elastic constants from</div><div class="t m0 x1 h3 y99 ff1 fs0 fc0 sc0 ls0 ws3a">polycrystalline samples<span class="_39 blank"> </span>438</div><div class="t m0 x2 he y9a ff5 fs0 fc0 sc0 ls0 ws5">12<span class="_47 blank"> </span>New directions<span class="_51 blank"> </span>443</div><div class="t m0 x25 h3 y9b ff1 fs0 fc0 sc0 ls0 ws40">12.1 Introduction<span class="_2e blank"> </span>443</div><div class="t m0 x25 h3 y9c ff1 fs0 fc0 sc0 ls0 ws39">12.2<span class="_49 blank"> </span>Neutron sources<span class="_52 blank"> </span>443</div><div class="t m0 x25 h3 y9d ff1 fs0 fc0 sc0 ls0 ws40">12.3 Components<span class="_41 blank"> </span>444</div><div class="t m0 x25 h3 y9e ff1 fs0 fc0 sc0 ls0 ws40">12.4 Diffractometers<span class="_53 blank"> </span>446</div><div class="t m0 x25 h3 y9f ff1 fs0 fc0 sc0 ls0 ws5">12.5<span class="_49 blank"> </span>Data analysis<span class="_20 blank"> </span>449</div><div class="t m0 x25 h3 ya0 ff1 fs0 fc0 sc0 ls0 ws3c">12.6<span class="_49 blank"> </span>New problems for study by neutron powder diffraction<span class="_54 blank"> </span>453</div><div class="t m0 x25 h3 ya1 ff1 fs0 fc0 sc0 ls0 ws0">12.7<span class="_49 blank"> </span>Closing remarks<span class="_55 blank"> </span>458</div><div class="t m0 x2 he ya2 ff5 fs0 fc0 sc0 ls0 ws3a">Appendix 1<span class="_56 blank"> </span>459</div><div class="t m0 x2 he ya3 ff5 fs0 fc0 sc0 ls0 ws3a">Appendix 2<span class="_56 blank"> </span>462</div><div class="t m0 x2 he ya4 ff5 fs0 fc0 sc0 ls0 ws42">References 463</div><div class="t m0 x2 he ya5 ff5 fs0 fc0 sc0 ls0 ws43">Index 481</div></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:574.427989px;width:307.301800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:562.493989px;width:307.301800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:550.557989px;width:307.301800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:538.623989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.122500px;bottom:496.855989px;width:322.220500px;height:23.401000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:484.921989px;width:307.302800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:472.987989px;width:307.301800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:461.053989px;width:307.301800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:449.119989px;width:307.301800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.122500px;bottom:419.283989px;width:322.219500px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:395.415989px;width:307.302800px;height:23.033000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:383.481989px;width:307.300800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:371.547989px;width:307.301800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:347.679989px;width:307.302800px;height:23.033000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.122500px;bottom:317.844989px;width:322.220500px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:305.910989px;width:307.302800px;height:11.098000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:293.975989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:282.041989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:270.107989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:258.173989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:246.239989px;width:307.301800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:51.040200px;bottom:234.305989px;width:307.302800px;height:11.099000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:35.575600px;bottom:204.470989px;width:322.767400px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:35.575600px;bottom:180.602989px;width:322.767400px;height:11.466000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.122500px;bottom:156.732989px;width:322.220500px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div><div class="d m1" style="border-style:none;position:absolute;left:36.122500px;bottom:132.863989px;width:322.220500px;height:11.467000px;background-color:rgba(255,255,255,0.000001);"></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div> <div id="pf9" class="pf w4 h2" data-page-no="9"><div class="pc pc9 w4 h2"><div class="c x0 y0 w1 h2"><div class="t m0 x11 h10 ya6 ff7 fs8 fc0 sc0 ls4 ws44">This page intentionally left blank </div></div></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.345600,-10.800011]}'></div></div> <div id="pfa" class="pf w1 h2" data-page-no="a"><div class="pc pca w1 h2"><img fetchpriority="low" loading="lazy" class="bi x2 y4a w3 h4" alt="" src="https://files.passeidireto.com/f31c30b6-55bc-420a-97d2-b3d8d5071f06/bga.png"><div class="c x0 y0 w2 h2"><div class="t m0 x26 hd y4b ff1 fs7 fc0 sc0 ls0">Preface</div><div class="t m0 x2 h3 ya7 ff1 fs0 fc0 sc0 ls0 ws45">Neutron powder diffraction patterns were recorded in 1945 at the Graphite Reactor<span class="_3 blank"></span>,</div><div class="t m0 x2 h3 ya8 ff1 fs0 fc0 sc0 ls0 ws46">Oak Ridge, so it can be quite reasonably claimed that neutron powder diffraction</div><div class="t m0 x2 h3 ya9 ff1 fs0 fc0 sc0 ls0 ws47">is the longest established use of thermal neutrons in studies of condensed matter<span class="_3 blank"></span>.</div><div class="t m0 x2 h3 yaa ff1 fs0 fc0 sc0 ls0 ws48">Over the ensuing period, there has been continual development of instrumentation</div><div class="t m0 x2 h3 yab ff1 fs0 fc0 sc0 ls0 ws49">and methods for data analysis leading to an ever expanding range of applications.</div><div class="t m0 x2 h3 yac ff1 fs0 fc0 sc0 ls0 ws4a">Nowadays,<span class="_a blank"> </span>at major neutron sources,<span class="_a blank"> </span>neutron powder diffraction is challenged only</div><div class="t m0 x2 h3 yad ff1 fs0 fc0 sc0 ls0 ws4b">by small angle neutron scattering as regards the number of scientists who make</div><div class="t m0 x2 h3 yae ff1 fs0 fc0 sc0 ls0 ws4c">use of it and its breadth of application. Its popularity may in part be due to a degree</div><div class="t m0 x2 h3 yaf ff1 fs0 fc0 sc0 ls0 ws4d">of familiarity because of similarities with the ubiquitous X-ray powder diffraction</div><div class="t m0 x2 h3 yb0 ff1 fs0 fc0 sc0 ls0 ws4e">method, and in part that the relatively fast throughput on modern diffractometers</div><div class="t m0 x2 h3 yb1 ff1 fs0 fc0 sc0 ls0 ws4f">means a large number of experiments can be accommodated. The real value of the</div><div class="t m0 x2 h3 yb2 ff1 fs0 fc0 sc0 ls0 ws50">technique, however<span class="_2 blank"></span>, derives from its capacity to yield valuable information on the</div><div class="t m0 x2 h3 yb3 ff1 fs0 fc0 sc0 ls0 ws51">systems under study that is not readily accessible by other means. The technique</div><div class="t m0 x2 h3 yb4 ff1 fs0 fc0 sc0 ls0 ws52">is used<span class="_5 blank"> </span>extensively in<span class="_5 blank"> </span>physics, chemistry<span class="_3 blank"></span>, crystallography<span class="_3 blank"></span>, mineralogy<span class="_2 blank"></span>, materials</div><div class="t m0 x2 h3 yb5 ff1 fs0 fc0 sc0 ls0 ws53">science,<span class="_1 blank"> </span>and engineering where good use is made of its complementarity with</div><div class="t m0 x2 h3 yb6 ff1 fs0 fc0 sc0 ls0 ws5">X-ray and electron diffraction.</div><div class="t m0 x27 h3 yb7 ff1 fs0 fc0 sc0 ls0 ws54">Despite the long history<span class="_3 blank"></span>,<span class="_a blank"> </span>and perhaps because of the availability of texts on X-ray</div><div class="t m0 x2 h3 yb8 ff1 fs0 fc0 sc0 ls0 ws55">powder diffraction, there is as yet no single volume covering the theory<span class="_3 blank"></span>, practical-</div><div class="t m0 x2 h3 yb9 ff1 fs0 fc0 sc0 ls0 ws56">ities, and applications of neutron powder diffraction.<span class="_4 blank"> </span>This book is intended to \ufb01ll</div><div class="t m0 x2 h3 yba ff1 fs0 fc0 sc0 ls0 ws57">this gap.<span class="_a blank"> </span>Herein we have tried to synthesize the necessary material from many \ufb01elds</div><div class="t m0 x2 h3 ybb ff1 fs0 fc0 sc0 ls0 ws58">into a monograph that will support research utilizing neutron powder diffraction.</div><div class="t m0 x2 h3 ybc ff1 fs0 fc0 sc0 ls0 ws59">As for all books that utilize crystallographic techniques, this book draws heavily</div><div class="t m0 x2 h3 ybd ff1 fs0 fc0 sc0 ls0 ws5a">on the foundations laid down in the X-ray diffraction literature as well as early</div><div class="t m0 x2 h3 ybe ff1 fs0 fc0 sc0 ls0 ws5b">works on neutron diffraction in general (e.g.<span class="_57 blank"> </span>Bacon 1975).<span class="_57 blank"> </span>However,<span class="_57 blank"> </span>we have</div><div class="t m0 x2 h3 ybf ff1 fs0 fc0 sc0 ls0 ws4b">attempted to make the coverage much broader to encapsulate the many areas in</div><div class="t m0 x2 h3 yc0 ff1 fs0 fc0 sc0 ls0 ws5c">which neutron powder diffraction is being used. It therefore contains a synthesis</div><div class="t m0 x2 h3 yc1 ff1 fs0 fc0 sc0 ls0 ws5d">of established techniques illustrated by example and some original work on the</div><div class="t m0 x2 h3 yc2 ff1 fs0 fc0 sc0 ls0 ws5e">relation between displacement parameters and occupancies,<span class="_9 blank"> </span>on the use of group</div><div class="t m0 x2 h3 yc3 ff1 fs0 fc0 sc0 ls0 ws5f">theoretical software in the solution of magnetic structures,<span class="_7 blank"> </span>on anisotropic parti-</div><div class="t m0 x2 h3 yc4 ff1 fs0 fc0 sc0 ls0 ws60">cle size broadening, and on the analysis of peak shapes from samples containing</div><div class="t m0 x2 h3 yc5 ff1 fs0 fc0 sc0 ls0 ws61">gradients. W<span class="_0 blank"></span>e have also attempted to make the book relatively stand alone. It was</div><div class="t m0 x2 h3 yc6 ff1 fs0 fc0 sc0 ls0 ws62">our wish that a working knowledge of the \ufb01eld could be obtained from the book</div><div class="t m0 x2 h3 yc7 ff1 fs0 fc0 sc0 ls0 ws63">without extensive forays into the literature.<span class="_5 blank"> </span>As such, we begin with a very basic</div><div class="t m0 x2 h3 yc8 ff1 fs0 fc0 sc0 ls0 ws5">introduction to neutron diffraction by way of a summary of the basic strengths of</div><div class="t m0 x2 h3 yc9 ff1 fs0 fc0 sc0 ls0 ws64">the method and a discourse on its development over the last six decades (Chap-</div><div class="t m0 x2 h3 yca ff1 fs0 fc0 sc0 ls0 ws65">ter 1). This is followed by a brief outline of the types of structure to be encountered</div><div class="t m0 x2 h3 ycb ff1 fs0 fc0 sc0 ls0 ws66">in a powder diffraction experiment, their description,<span class="_4 blank"> </span>and the theory underlying the</div></div><a class="l" href="#pf6" data-dest-detail='[6,"XYZ",-106,660.56,1]'><div class="d m1" style="border-style:none;position:absolute;left:170.399000px;bottom:550.316989px;width:53.666000px;height:19.977000px;background-color:rgba(255,255,255,0.000001);"></div></a></div><div class="pi" data-data='{"ctm":[1.000000,0.000000,0.000000,1.000000,-0.360000,-10.800011]}'></div></div>
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