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 in air: P = 0.0001 GPa
_database_code_amcsd 0008123
9.4264 9.4264 18.6962 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 1.09 .00316 .00316 .00074 -.00115       0      0
Mn2       0      0      0  .79 .00213 .00220 .00059 -.00030 -.00011 .00005
Mn3     .25 .21663      0  .79 .00211 .00206 .00063       0  .00008      0
Mn4  .23282 .48282    1/8  .77 .00207 .00207 .00059 -.00011  .00003 .00003
Si        0    .25    3/8  .70 .00170 .00170 .00063       0       0      0
O1   .15074 .85526 .94565  .99 .00264 .00249 .00081 -.00018 -.00005 .00020
O2   .14441 .07326 .05673  .97 .00261 .00283 .00070 -.00021 -.00012 .00005
O3   .07780 .13403 .92521 1.03 .00244 .00320 .00077  .00027 -.00003 .00018