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LiMn2O4 |
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Tateishi K, Suda K, du Boulay D, Ishizawa N, Oishi S |
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Acta Crystallographica E60 (2004) i18-i21 |
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LiMn2O4: a spinel-related low-temperature modification |
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_database_code_amcsd 0010421 |
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24.7550 24.8832 8.2003 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li1 .125 .125 .125 .012 .012 .020 .005 0 0 0 |
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Li2 .375 .2125 .375 .011 .008 .016 .008 0 -.002 0 |
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Li3 .2057 .375 .375 .011 .011 .016 .006 0 0 -.001 |
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Li4 .2904 .2941 .1238 .011 .009 .014 .011 .000 -.002 .002 |
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Mn1 .25 .25 .5 .0092 .0079 .0104 .0094 -.0008 -.0010 -.0007 |
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Mn2 .08098 .08515 .50078 .0097 .0095 .0117 .0080 -.0009 -.0010 -.0004 |
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Mn3 .08407 .33028 .24970 .0093 .0068 .0133 .0080 .0008 .0004 -.0007 |
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Mn4 .25330 .16797 .24552 .0087 .0069 .0112 .0081 .0001 .0004 .0002 |
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Mn5 .16670 .24425 .24413 .0083 .0061 .0104 .0083 .0005 -.0002 .0008 |
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O1 .17421 .16794 .2618 .0106 .0080 .0123 .0114 -.0010 .0015 -.0016 |
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O2 .07879 .00779 .4798 .0112 .0109 .0134 .0093 .0013 .0005 .0007 |
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O3 .07873 .33193 .4818 .0119 .0076 .0165 .0114 -.0004 .0018 .0007 |
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O4 .25251 .17247 .4771 .0134 .0150 .0139 .0114 .0031 -.0010 .0008 |
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O5 .00630 .00677 .2387 .0109 .0077 .0138 .0112 -.0005 -.0001 -.0024 |
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O6 .25616 .09018 .2385 .0104 .0075 .0121 .0115 -.0005 -.0012 .0000 |
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O7 .16281 .32326 .2352 .0109 .0075 .0139 .0113 .0005 .0007 -.0017 |
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O8 .09041 .24386 .2346 .0109 .0061 .0155 .0110 -.0018 -.0004 .0009 |
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O9 .08407 .16142 .5160 .0176 .0284 .0113 .0131 .0019 -.0028 -.0014 |
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