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 = 0.00 GPa, in air
_database_code_amcsd 0001970
9.5220 18.1833 5.3184 90 102.020 90 C2/m
atom     x     y     z  occ Biso
Fe1      0 .0874    .5 .405  .75
Mg1      0 .0874    .5 .595  .75
Fe2      0 .1776     0 .207  .78
Mg2      0 .1776     0 .789  .78
Al2      0 .1776     0 .004  .78
Fe3      0     0     0 .393  .61
Mg3      0     0     0 .607  .61
Fe4      0 .2592    .5 .927  .93
Mg4      0 .2592    .5 .035  .93
Ca4      0 .2592    .5 .038  .93
Si1  .2865 .0841 .2735       .67
Si2  .2972 .1685 .7800       .60
O1   .1139 .0875 .2070       .76
O2   .1243 .1729 .7181       .90
O3   .1181     0 .7081       .87
O4   .3808 .2450 .7682       .95
O5   .3518 .1302 .0622       .86
O6   .3504 .1190 .5558      1.17
O7   .3433     0 .2723       .94