Li3Sc(MoO4)3
Kolitsch U, Tillmanns E
Acta Crystallographica E59 (2003) i55-i58
Li3Sc(MoO4)3: substitutional disorder on three (Li,Sc) sites
_database_code_amcsd 0010405
5.1300 10.560 17.745 90 90 90 Pnma
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Li1   .1048    .25  .25027  .58  .0289  .0522  .0172  .0172      0   .0012      0
Sc1   .1048    .25  .25027  .42  .0289  .0522  .0172  .0172      0   .0012      0
Li2   .7547 .57420  .02731 .749  .0129  .0112  .0150  .0125  .0003   .0007  .0022
Sc2   .7547 .57420  .02731 .251  .0129  .0112  .0150  .0125  .0003   .0007  .0022
Li3   .2446    .75   .3018 .922  .0237   .017   .023   .031      0   .0049      0
Sc3   .2446    .75   .3018 .078  .0237   .017   .023   .031      0   .0049      0
Mo1  .27559 .52755 .156515      .01468 .01428 .01484 .01493 .00046 -.00045 .00130
Mo2  .77812    .25 .057110      .01320 .01243 .01373 .01345      0  .00018      0
O1    .8588    .25  .15432       .0201  .0230  .0185  .0189      0  -.0035      0
O2    .0531    .25 -.00495       .0194  .0171  .0184  .0227      0   .0026      0
O3    .5831  .1167  .03722       .0201  .0180  .0219  .0203 -.0021  -.0015 -.0009
O4    .0838  .4902  .07587       .0199  .0167  .0240  .0190  .0011  -.0006  .0014
O5    .0797  .6233  .21271       .0240  .0226  .0256  .0237  .0031   .0005 -.0030
O6    .3528 .38437  .20513       .0195  .0208  .0196  .0183  .0005  -.0006  .0019
O7    .5554 .61262  .12713       .0208  .0203  .0209  .0210 -.0030   .0007 -.0005