Gillespite
Hazen R M, Finger L W
American Mineralogist 68 (1983) 595-603
High-pressure and high-temperature crystallographic study of the gillespite I-II
phase transition
P = 21 kbar
7.4985 7.3223 7.920 90 90 90 P2_12_12
atom     x     y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba       0     0 -.0267       .0042 .00051  .0056 -.0023      0      0
Fe      .5     0  .1846       .0026  .0027  .0048 -.0005      0      0
Si1  .2186 .6865  .3276       .0033  .0029   .004  .0004  -.002   .000
Si2  .1868 .2564  .2946       .0020  .0023   .016 -.0003   .001  -.002
O1   .2628 .1829  .4741        .007   .009    .06  .0006  -.001  -.006
O2   .2146 .4763  .2761  1.3
O3   .9727 .2219  .2686  1.4
O4   .6285 .2241  .2400  1.2
O5   .2813 .1563  .1401  1.0