Leucite
Palmer D C, Dove M T, Ibberson R M, Powell B M
American Mineralogist 82 (1997) 16-29
Structural behavior, crystal chemistry and phase transitions in substituted
leucites: High-resolution neutron powder diffraction studies
Sample: Expt. no. 3757, T = 298 K, KFeSi2O6
_database_code_amcsd 0001854
13.20357 13.20357 13.95446 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K    .3650 .3624 .1162 .90 .012146 .002940 .013711  .000100 -.005889 -.004410
Si1  .0579 .3964 .1665 2/3 .000516 .002280 .004018  .000000 -.000597 -.001221
Si2  .1673 .6123 .1265 2/3 .001993 .003972 .000347 -.000832 -.000950  .000136
Si3  .3905 .6444 .0843 2/3 .002696 .002854 .000783 -.000789  .000190 -.000611
O1   .1310 .3155 .1087     .010124 .004718 .010797 -.001534  .001981  .000299
O2   .0862 .5128 .1329     .004560 .008891 .006869 -.000803 -.001628  .000054
O3   .1463 .6828 .2274     .005994 .004618 .005020  .001477  .002877  .000760
O4   .1282 .6843 .0364     .004173 .008661 .003184  .000746  .001411  .001167
O5   .2892 .5729 .1234     .005621 .003513 .005675 -.000832  .001058 -.002090
O6   .4813 .6183 .1684     .002567 .005005 .006162  .002251 -.000787 -.000692