Kimzeyite
Munno R, Rossi G, Tadini C
American Mineralogist 65 (1980) 188-191
Crystal chemistry of kimzeyite from Stomboli, Aeolian Islands, Italy
_database_code_amcsd 0000775
12.365 12.365 12.365 90 90 90 Ia-3d
atom     x     y     z  occ B(1,1) B(2,2) B(3,3)   B(1,2) B(1,3) B(2,3)
Ca1   .125     0   .25 .980 .00063 .00063 .00164 0.00062      0      0
Mg1   .125     0   .25 .020 .00063 .00063 .00164 0.00062      0      0
Mg2      0     0     0 .160 .00107 .00107 .00107 0.00002 .00002 .00002
Zr2      0     0     0 .605 .00107 .00107 .00107 0.00002 .00002 .00002
Ti2      0     0     0 .235 .00107 .00107 .00107 0.00002 .00002 .00002
Si    .375     0   .25 .503 .00105 .00128 .00128       0      0      0
Al    .375     0   .25 .333 .00105 .00128 .00128       0      0      0
Fe    .375     0   .25 .164 .00105 .00128 .00128       0      0      0
O    .0365 .0497 .6543      .00211 .00152 .00110 -.00038 .00025 .00006