Omphacite
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B
The Canadian Mineralogist 13 (1975) 62-67
Two crystal structure refinements of a P2/n titanian ferro-omphacite
Sample: Winnipeg
_database_code_amcsd 0005104
9.622 8.826 5.279 90 106.92 90 P2/n
atom      x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeM1    .75 .6560   .25 .786  .0017  .0021  .0053      0  .0005      0
AlM1    .75 .6560   .25 .214  .0017  .0021  .0053      0  .0005      0
FeM11   .75 .8499   .75 .251  .0013  .0016  .0038      0  .0008      0
AlM11   .75 .8499   .75 .749  .0013  .0016  .0038      0  .0008      0
CaM2    .75 .0520   .25 .260  .0052  .0035  .0106      0  .0005      0
NaM2    .75 .0520   .25 .740  .0052  .0035  .0106      0  .0005      0
CaM21   .75 .4526   .75 .672  .0045  .0033  .0095      0 -.0003      0
NaM21   .75 .4526   .75 .328  .0045  .0033  .0095      0 -.0003      0
Si1   .0402 .8464 .2305       .0015  .0020  .0046  .0000  .0011  .0001
Si2   .0382 .6647 .7353       .0017  .0018  .0035  .0001  .0010  .0001
O11   .8646 .8400 .1227       .0017  .0030  .0053 -.0001  .0012 -.0001
O12   .8632 .6798 .6559       .0012  .0030  .0061 -.0003  .0012 -.0003
O21   .1156 .0088 .3088       .0022  .0019  .0077 -.0003  .0007 -.0004
O22   .1041 .5002 .8058       .0033  .0022  .0089  .0008  .0019  .0007
O31   .1072 .7661 .0102       .0018  .0027  .0067  .0003  .0010 -.0012
O32   .0972 .7428 .5024       .0020  .0027  .0033 -.0001  .0017  .0008