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 = 0.0001 GPa in air
_database_code_amcsd 0003529
9.5909 9.5909 6.5339 90 90 90 P-42_1m
atom       x      y      z occ   Uiso
Ba1       .5     .0 .64292 .79 .01583
Ba2       .5     .0  .5938 .15  .0138
SiT1      .0     .0     .0 .60 .00933
AlT1      .0     .0     .0 .40 .00933
SiT2 -.17347 .09318 .38107 .61 .00934
AlT2 -.17347 .09318 .38107 .39 .00934
O1    .17297 .32703 .62436     .01337
O23  -.04481 .19643 .46501     .01664
O45  -.13667 .03769 .14424     .01659
Wat1  .17659 .32341  .1461 .79  .0310
Wat2  .37786 .12214 -.0251 .98  .0581