Edingtonite
Gatta G D, Ballaran T B, Comodi P, Zanazzi P F
American Mineralogist 89 (2004) 633-639
Isothermal equation of state and compressional behavior of tetragonal edingtonite
Sample at P = 4.611 GPa
_database_code_amcsd 0003532
9.3466 9.3466 6.42705 90 90 90 P-42_1m
atom       x      y      z occ   Uiso
Ba1       .5     .0 .64515 .89 .01287
SiT1      .0     .0     .0 .60  .0170
AlT1      .0     .0     .0 .40  .0170
SiT2 -.17921 .08614 .38026 .61  .0139
AlT2 -.17921 .08614 .38026 .39  .0139
O1     .1588  .3411  .6303      .0153
O23   -.0508  .1909  .4544      .0236
O45   -.1480  .0230  .1438      .0203
Wat1   .1851  .3148  .1613 .74  .0106
Wat2   .3757  .1243 -.0170 .92  .0446