Braunite
Miletich R, Allan D R, Angel R J
Physics and Chemistry of Minerals 25 (1998) 183-192
Structural control of polyhedral compression in synthetic braunite,
Mn2+Mn3+6O8SiO4
Sample: P = 7.69 GPa
_database_code_amcsd 0008129
9.2998 9.2998 18.4957 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Mn1       0    .25    1/8 1.14 .00354 .00354 .00072 -.00073       0      0
Mn2       0      0      0  .85 .00214 .00298 .00056 -.00043 -.00004 .00010
Mn3     .25 .21651      0  .81 .00226 .00230 .00063       0  .00025      0
Mn4  .23225 .48225    1/8  .89 .00278 .00278 .00055  .00008  .00007 .00007
Si        0    .25    3/8  .77 .00232 .00232 .00052       0       0      0
O1   .14978 .85459 .94608  .91
O2   .14455 .07296 .05744  .98
O3   .08100 .13172 .92504 1.21