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 = 1.38 GPa
_database_code_amcsd 0008125
9.4007 9.4007 18.6574 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 1.16 .00370 .00370 .00079 -.00098       0       0
Mn2       0      0      0  .87 .00263 .00234 .00062 -.00038 -.00007 -.00002
Mn3     .25 .21611      0  .81 .00214 .00244 .00057       0  .00001       0
Mn4  .23242 .48242    1/8  .81 .00234 .00234 .00056 -.00015  .00005  .00005
Si        0    .25    3/8  .82 .00225 .00225 .00062       0       0       0
O1   .14963 .85538 .94580 1.06
O2   .14506 .07319 .05720  .96
O3   .07862 .13392 .92569  .94