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 = 45 kbar
7.445 7.224 7.783 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 -.0324       .0036  .0043  .0016 -.0017      0      0
Fe      .5     0 .18400       .0026  .0021  .0100 -.0003      0      0
Si1  .2147 .6875  .3374       .0023  .0022  .0068  .0003 -.0006 -.0010
Si2  .1872 .2542  .2874       .0023  .0021  .0120 -.0002 -.0006 -.0011
O1   .2704 .1813  .4504        .014   .012   .008   .003  -.003   .002
O2   .2065 .2634  .2634  1.1
O3   .9727 .2105  .2812  1.0
O4   .6231 .2256  .2404  1.0
O5   .2810 .1572  .1296  0.8