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 high temperature (T=1073K)
_database_code_amcsd 0014548
9.627 8.846 5.282 90 107.06 90 P2/n
atom       x      y     z  occ  Uiso
CaM2     .75  .0519   .25 .303 .0310
NaM2     .75  .0519   .25 .697 .0310
CaM21    .75  .4511   .75 .697 .0340
NaM21    .75  .4511   .75 .303 .0340
MgM1     .75  .6578   .25  .46 .0200
AlM1     .75  .6578   .25  .48 .0200
FeM1     .75  .6578   .25  .06 .0200
MgM11    .75  .8493   .75  .46 .0138
AlM11    .75  .8493   .75  .48 .0138
FeM11    .75  .8493   .75  .06 .0138
SiT1  .03918 .84722 .2258 .985 .0128
AlT1  .03918 .84722 .2258 .015 .0128
SiT2  .03689 .66333 .7295 .985 .0130
AlT2  .03689 .66333 .7295 .015 .0130
O11    .8635  .8384 .1196      .0182
O12    .8615  .6789 .6476      .0184
O21    .1145  .0082 .3058      .0231
O22    .1057  .5002 .8011      .0264
O31    .1053  .7649 .0046      .0203
O32    .0965  .7428 .4988      .0206