LiMn2O4
Ishizawa N, Tateishi K, Oishi S, Kishimoto S
American Mineralogist 99 (2014) 1528-1536
Bond-length fluctuation in the orthorhombic 3x3x1 superstructure of LiMn2O4
Note: T = 230 K
Locality: Synthetic
_database_code_amcsd 0020311
24.764 24.862 8.1995 90 90 90 *Fddd
.125 .125 .125
atom       x       y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mn1      .25     .25     .5     .00492 .00473 .00448 .00553 -.00027 -.00111 -.00038
Mn2  .080799 .085516 .50091     .00453 .00647 .00338 .00374 -.00068 -.00047 -.00019
Mn3  .084147 .330131 .24966     .00435 .00428 .00483 .00394  .00071  .00030 -.00057
Mn4  .253405 .167979 .24512     .00387 .00407 .00378 .00377  .00042  .00046 -.00054
Mn5  .166740 .243849 .24376     .00395 .00361 .00406 .00419  .00028 -.00036  .00013
Li1     .125    .125   .125      .0107
Li2     .375  .21309   .375      .0012
Li3    .2052    .375   .375      .0050
Li4   .29002   .2943  .1227      .0102
O1    .17436  .16781 .26212      .0051  .0056  .0047  .0050  -.0001  -.0003   .0007
O2    .07878  .00765 .47870      .0061  .0069  .0059  .0054  -.0008   .0010  -.0004
O3    .07897  .33141 .48165      .0057  .0057  .0061  .0054  -.0007  -.0011  -.0018
O4a    .2558  .17353  .4741 .62  .0048
O4b    .2482   .1720  .4812 .38  .0048
O5    .00657  .00694 .23681      .0051  .0051  .0040  .0061   .0003  -.0001   .0001
O6    .25635  .09033 .23907      .0046  .0050  .0048  .0040  -.0010  -.0005   .0004
O7    .16285  .32245 .23581      .0050  .0059  .0042  .0048   .0007  -.0004   .0001
O8    .09053  .24332 .23415      .0053  .0034  .0068  .0058  -.0012   .0009   .0011
O9a    .0797  .16069  .5194 .62  .0063
O9b    .0905  .16210  .5123 .38  .0063