Cummingtonite
Yang H, Hazen R M, Prewitt C T, Finger L W, Lu R, Hemley R J
American Mineralogist 83 (1998) 288-299
High-pressure single-crystal X-ray diffraction and infrared spectroscopic
studies of the C2/m-P2_1/m phase transition in cummingtonite
Sample: P = 1.10 GPa
_database_code_amcsd 0001972
9.4638 18.1333 5.3022 90 102.372 90 C2/m
atom     x     y     z  occ Biso
Fe1      0 .0869    .5 .405  .76
Mg1      0 .0869    .5 .595  .76
Fe2      0 .1770     0 .207  .65
Mg2      0 .1770     0 .789  .65
Al2      0 .1770     0 .004  .65
Fe3      0     0     0 .393  .71
Mg3      0     0     0 .607  .71
Fe4      0 .2591    .5 .927  .90
Mg4      0 .2591    .5 .035  .90
Ca4      0 .2591    .5 .038  .90
Si1  .2890 .0840 .2764       .61
Si2  .2979 .1686 .7823       .68
O1   .1179 .0871 .2105       .62
O2   .1276 .1727 .7220       .83
O3   .1174     0 .7079       .89
O4   .3801 .2454 .7663      1.08
O5   .3534 .1314 .0677       .83
O6   .3530 .1182 .5625      1.17
O7   .3447     0 .2709       .72