Kalsilite
Kawahara A, Andou Y, Marumo F, Okuno M
Mineralogical Journal 13 (1987) 260-270
The crystal structure of high temperature form of kalsilite (KAlSiO4) at 950 C
Note: B(1,2)'s corrected to obey symmetry restrictions
Note: Synthetic sample
Note: x(O1) adjusted to match reported bond lengths
_database_code_amcsd 0014429
5.30 5.30 8.65 90 90 120 P6_3mc
atom    x     y    z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K       0     0  .25      9.3   .103   .103   .032  .0515      0      0
Al    1/3   2/3 .058      2.5   .033   .033   .007  .0165      0      0
Si    1/3   2/3 .439      5.6   .065   .065   .020  .0325      0      0
O1   .506  .012 .984      6.7   .074   .062   .029   .043  -.007   .002
O2   .407  .741 .250 1/6  3.4