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 = 5.63 GPa
_database_code_amcsd 0008128
9.3309 9.3309 18.5455 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 1.20 .00322 .00322 .00094 -.00051       0      0
Mn2       0      0      0  .88 .00218 .00248 .00073 -.00065 -.00013 .00006
Mn3     .25 .21645      0  .77 .00220 .00179 .00068       0  .00028      0
Mn4  .23277 .48277    1/8  .90 .00249 .00249 .00071 -.00003  .00004 .00004
Si        0    .25    3/8  .94 .00240 .00240 .00083       0       0      0
O1   .15033 .85425 .94610  .95
O2   .14437 .07238 .05742  .93
O3   .08029 .13196 .92564  .98