LiTa3O8
Hodeau J, Marezio M, Santoro A, Roth R
Journal of Solid State Chemistry 51 (1984) 275-292
Neutron diffraction structure determination of the high-temperature
form of lithium tritantalate, H-LiTa3O8
Locality: synthetic
_cod_database_code 1008238
_database_code_amcsd 0016160
16.718 7.696 8.931 90 90 90 *Pmmn
.25 .25 0
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1     .25  .0012 .6878  .0054  .0061 -.0003      0      0 -.0005
Ta2  .13256 -.0011 .3930  .0057  .0071  .0010  .0015 -.0002 -.0001
Ta3  .06024 -.0004 .8114  .0041  .0038  .0028  .0005  .0004  .0003
Ta4     .25  .0025 .0539  .0055  .0451  .0004      0      0  .0048
O1      .25 -.0249 .4530  .0039  .0079  .0007      0      0  .0008
O2   .13163  .0013 .6202  .0052  .0098  .0003 -.0007  .0011 -.0005
O3   .17483  .0259 .8779  .0046  .0077  .0025  .0001  .0002 -.0007
O4      .25    .25 .6716  .0104  .0018  .0071      0      0      0
O5      .25    .75 .7041  .0101  .0011  .0080      0      0      0
O6   .16236 -.0404 .1883  .0091  .0156  .0051 -.0004  .0036  .0018
O7   .02035  .0393 .3404  .0043  .0087  .0076  .0007 -.0035 -.0012
O8    .1416    .25 .3959  .0170  .0031  .0157      0 -.0083      0
O9    .1048    .75 .4151  .0109    11.  .0014  .0092      0 -.0029
O10       0      0     0  .0169  .0106  .0039 -.0021  .0087 -.0031
O11   .0417    .25 .8038  .0153  .0015  .0109      0  .0002      0
O12   .0731    .75 .8425  .0093  .0010  .0264      0  .0026      0
O13     .25    .25 .0932  .0167  .0098  .0123      0      0      0
O14     .25    .75 .0161  .0266  .0132  .0159      0      0      0
Li1   .9163    .25 .9083   .117   .032   .065      0   .040      0
Li2  -.0063    .25  .462   .076   .038   .114      0   .052      0