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 = 4.51 GPa
_database_code_amcsd 0008127
9.3480 9.3480 18.5739 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 1.24 .00366 .00366 .00083 -.00032      0      0
Mn2       0      0      0  .86 .00272 .00221 .00061 -.00083 .00012 .00001
Mn3     .25 .21626      0  .77 .00132 .00241 .00072       0 .00000      0
Mn4  .23269 .48269    1/8  .92 .00275 .00275 .00061  .00008 .00026 .00026
Si        0    .25    3/8 1.06 .00313 .00313 .00072       0      0      0
O1   .14947 .85480 .94564  .76
O2   .14438 .07212 .05728 1.16
O3   .07936 .13283 .92549  .93