Katoite
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G
European Journal of Mineralogy 15 (2003) 419-426
A new occurrence of katoite and re-examination of the hydrogrossular group
Sample: Split-O model, T = 200 K
_database_code_amcsd 0006981
12.270 12.270 12.270 90 90 90 Ia-3d
atom     x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     1/8     0   1/4 .972 .0094  .0108  .0087  .0087      0      0  .0023
Al       0     0     0      .0136  .0136  .0136  .0136 -.0037 -.0037 -.0037
Si     3/8     0   1/4 .368 .0068  .0063  .0070  .0070      0      0      0
O1   .0439 .0436 .6528  .37 .0084
O2   .0250 .0537 .6393  .63 .0152
H     .081  .060  .656  .63 .0380