Omphacite
Pavese A, Bocchio R, Ivaldi G
Mineralogical Magazine 64 (2000) 983-993
In situ high temperature single crystal X-ray diffraction study of a natural omphacite
Locality: Gorduno, Lepontine Alps, Switzerland
Note: structure at room temperature (T=298K), after being heated to 1073K
_database_code_amcsd 0014549
9.563 8.776 5.254 90 106.90 90 P2/n
atom       x      y     z  occ  Uiso
CaM2     .75  .0522   .25 .310 .0103
NaM2     .75  .0522   .25 .690 .0103
CaM21    .75  .4501   .75 .690 .0114
NaM21    .75  .4501   .75 .310 .0114
MgM1     .75 .65870   .25  .46 .0069
AlM1     .75 .65870   .25  .48 .0069
FeM1     .75 .65870   .25  .06 .0069
MgM11    .75 .84716   .75  .46 .0039
AlM11    .75 .84716   .75  .48 .0039
FeM11    .75 .84716   .75  .06 .0039
SiT1  .03924 .84712 .2269 .985 .0048
AlT1  .03924 .84712 .2269 .015 .0048
SiT2  .03737 .66177 .7302 .985 .0047
AlT2  .03737 .66177 .7302 .015 .0047
O11    .8628  .8379 .1215      .0079
O12    .8610  .6770 .6465      .0079
O21    .1142  .0097 .3086      .0086
O22    .1064  .4970 .8049      .0095
O31    .1060  .7660 .0039      .0073
O32    .0984  .7399 .4976      .0074