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: Natural, Expt. no. 3003, T = 298 K, KAlSi2O6
_database_code_amcsd 0001851
13.05476 13.05476 13.75182 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    .3659 .3637 .1169     .004371 .002963 .010549 -.000733  .000042 -.000794
Si1  .0574 .3969 .1665 2/3 .000851 .000103 .000939 -.000073  .000613 -.000125
Si2  .1675 .6116 .1287 2/3 .000352 .001232 .000106 -.000220 -.000306  .000585
Si3  .3930 .6420 .0862 2/3 .000235 .000880 .000912 -.000264 -.000195 -.001058
Al1  .0574 .3969 .1665 1/3 .000851 .000103 .000939 -.000073  .000613 -.000125
Al2  .1675 .6116 .1287 1/3 .000352 .001232 .000106 -.000220 -.000306  .000585
Al3  .3930 .6420 .0862 1/3 .000235 .000880 .000912 -.000264 -.000195 -.001058
O1   .1324 .3141 .1099     .003711 .001863 .004217  .000865  .000487 -.000822
O2   .0908 .5112 .1308     .003198 .002640 .002128 -.000733 -.000084  .000097
O3   .1461 .6808 .2278     .002714 .001878 .001229 -.000205  .000668 -.000181
O4   .1331 .6851 .0348     .002156 .003315 .001679  .000337 -.000056  .000780
O5   .2889 .5756 .1204     .000997 .001672 .003001  .000044  .000529 -.000056
O6   .4836 .6172 .1673     .001188 .001966 .001348 -.000073 -.000265  .000376