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 = 140 K
_database_code_amcsd 0001788
9.492 18.093 5.292 90 102.11 90 P2_1/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  -.2496 .3369 .4888 .800 .0013  .0002  .0022 -.0001  .0005  .0001
Fe1  -.2496 .3369 .4888 .200 .0013  .0002  .0022 -.0001  .0005  .0001
Mg2  -.2503 .4270 .9886 .911 .0014  .0003  .0022 -.0001  .0002  .0000
Fe2  -.2503 .4270 .9886 .089 .0014  .0003  .0022 -.0001  .0002  .0000
Mg3  -.2491   .25 .9905 .831 .0013  .0003  .0024      0  .0002      0
Fe3  -.2491   .25 .9905 .169 .0013  .0003  .0024      0  .0002      0
Mg4  -.2522 .5094 .4848 .094 .0014  .0004  .0015  .0000  .0006  .0000
Fe4  -.2522 .5094 .4848 .906 .0014  .0004  .0015  .0000  .0006  .0000
Si1a  .0385 .3346 .2626      .0008  .0002  .0020  .0000 -.0001  .0000
Si1b  .5378 .8335 .2874      .0014  .0002  .0017 -.0001  .0004  .0000
Si2a  .0460 .4200 .7688      .0013  .0002  .0021 -.0001  .0001  .0000
Si2b  .5494 .9175 .7937      .0008  .0003  .0015 -.0001 -.0003  .0001
O1a  -.1352 .3368 .1992      .0008  .0004  .0019  .0000  .0002 -.0002
O1b   .3647 .8374 .2194      .0019  .0001  .0044  .0001  .0005  .0004
O2a  -.1280 .4222 .7057      .0014  .0003  .0047 -.0002  .0010  .0000
O2b   .3750 .9223 .7316      .0009  .0003  .0043  .0001  .0002  .0004
O3a  -.1336   .25 .6986      .0024  .0004  .0035      0  .0010      0
O3b   .3613   .75 .7171      .0015  .0002  .0036      0  .0001      0
O4a   .1280 .4977 .7811      .0010  .0002  .0047 -.0002 -.0005  .0003
O4b   .6329 .9929 .7613      .0025  .0006  .0037 -.0003  .0009 -.0004
O5a   .1010 .3733 .0341      .0013  .0005  .0036 -.0001  .0003  .0010
O5b   .6032 .8871 .0905      .0016  .0003  .0025  .0001  .0001  .0002
O6a   .1035 .3783 .5313      .0015  .0006  .0039  .0002 -.0005 -.0004
O6b   .5974 .8605 .5827      .0011  .0006  .0029  .0002 -.0002 -.0003
O7a   .0948   .25 .2917      .0021  .0005  .0032      0 -.0002      0
O7b   .5925   .75 .2579      .0012  .0002  .0058      0  .0016      0