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 = 700 C
Locality: Synthetic
_database_code_amcsd 0020440
9.653 8.858 5.288 90 106.76 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 .3003   .25 .53 .0357  .0463  .0265  .0267      0 -.0015      0
Ca        0 .3003   .25 .47 .0357  .0463  .0265  .0267      0 -.0015      0
Al        0 .9035   .25 .53 .0199  .0189  .0218  .0186      0  .0049      0
Fe        0 .9035   .25 .47 .0199  .0189  .0218  .0186      0  .0049      0
Si   .28846 .0918 .2284     .0151  .0169  .0157  .0132  .0015  .0051  .0004
O1    .1134 .0801 .1349     .0250   .014   .033   .025  -.002  .0020  -.005
O2    .3600 .2539 .3041     .0280   .032   .023   .027  -.005   .005 -.0043
O3    .3510 .0113 .0009     .0206   .020   .025  .0159  .0038  .0036 -.0062