Jadeite
Tribaudino M, Mantovani L
Mineralogical Magazine 78 (2014) 311-324
Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural
data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47)
Note: T = 300 C
Locality: Synthetic
_database_code_amcsd 0020439
9.616 8.804 5.274 90 106.67 90 C2/c
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0 .3004   .25 .53 .0225  .0324  .0140  .0172      0  .0010      0
Ca        0 .3004   .25 .47 .0225  .0324  .0140  .0172      0  .0010      0
Al        0 .9044   .25 .53 .0129  .0129  .0141  .0120      0  .0037      0
Fe        0 .9044   .25 .47 .0129  .0129  .0141  .0120      0  .0037      0
Si   .28862 .0923 .2297     .0101  .0118  .0104  .0090  .0003  .0044 -.0005
O1    .1128 .0804 .1344     .0171   .008   .024   .017   .000 -.0007  -.007
O2    .3602 .2546 .3063     .0181   .020   .016   .015  -.004  .0003 -.0027
O3    .3517 .0131 .0009     .0137   .013   .017   .010 -.0029  .0018 -.0066