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