Cummingtonite
Yang H, Smyth J R
American Mineralogist 81 (1996) 363-368
Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K
T = 295 K
_database_code_amcsd 0001789
9.502 18.126 5.309 90 102.07 90 C2/m
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0 .0869    .5 .800  .0021  .0004  .0036      0  .0008      0
Fe1      0 .0869    .5 .200  .0021  .0004  .0036      0  .0008      0
Mg2      0 .1772     0 .911  .0017  .0004  .0048      0  .0004      0
Fe2      0 .1772     0 .089  .0017  .0004  .0048      0  .0004      0
Mg3      0     0     0 .831  .0020  .0004  .0046      0  .0001      0
Fe3      0     0     0 .169  .0020  .0004  .0046      0  .0001      0
Mg4      0 .2591    .5 .094  .0024  .0007  .0056      0  .0014      0
Fe4      0 .2591    .5 .906  .0024  .0007  .0056      0  .0014      0
Si1  .2877 .0841 .2744       .0014  .0003  .0036 -.0001  .0002 -.0001
Si2  .2977 .1689 .7811       .0012  .0003  .0034 -.0001  .0001  .0000
O1   .1138 .0871 .2094       .0013  .0005  .0045  .0000  .0004 -.0001
O2   .1240 .1724 .7194       .0016  .0005  .0057  .0000  .0003  .0004
O3   .1143     0 .7088       .0022  .0004  .0073      0  .0009      0
O4   .3803 .2453 .7696       .0030  .0006  .0076 -.0004  .0005  .0002
O5   .3517 .1312 .0645       .0019  .0009  .0065 -.0001  .0005  .0014
O6   .3500 .1184 .5588       .0022  .0013  .0077  .0003 -.0001 -.0012
O7   .3433     0 .2710       .0027  .0002  .0125      0  .0010      0