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: Tronto
_database_code_amcsd 0005103
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 .6570   .25 .779  .0021  .0022  .0039      0  .0009      0
AlM1    .75 .6570   .25 .221  .0021  .0022  .0039      0  .0009      0
FeM11   .75 .8499   .75 .171  .0016  .0013  .0037      0  .0016      0
AlM11   .75 .8499   .75 .829  .0016  .0013  .0037      0  .0016      0
CaM2    .75 .0524   .25 .285  .0056  .0036  .0119      0  .0015      0
NaM2    .75 .0524   .25 .715  .0056  .0036  .0119      0  .0015      0
CaM21   .75 .4530   .75 .699  .0052  .0029  .0082      0  .0003      0
NaM21   .75 .4530   .75 .301  .0052  .0029  .0082      0  .0003      0
Si1   .0402 .8472 .2298       .0023  .0016  .0052  .0001  .0020 -.0002
Si2   .0381 .6651 .7354       .0019  .0019  .0045  .0000  .0015  .0000
O11   .8655 .8410 .1223       .0019  .0031  .0098  .0001  .0025 -.0003
O12   .8622 .6804 .6561       .0027  .0028  .0102  .0004  .0025 -.0006
O21   .1154 .0091 .3095       .0036  .0027  .0074 -.0007  .0018  .0000
O22   .1039 .5007 .8052       .0043  .0031  .0113  .0016  .0034  .0018
O31   .1077 .7660 .0082       .0038  .0032  .0060  .0001  .0021 -.0013
O32   .0969 .7430 .5019       .0024  .0034  .0082  .0002  .0021  .0007