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 Diamond Anvil Cell without pressure medium: P = 0.0001 GPa
_database_code_amcsd 0008124
9.4266 9.4266 18.6952 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 .00354 .00354 .00069 -.00145       0      0
Mn2       0      0      0  .84 .00219 .00253 .00060 -.00024 -.00006 .00005
Mn3     .25 .21626      0  .83 .00229 .00252 .00057       0  .00015      0
Mn4  .23261 .48261    1/8  .80 .00227 .00227 .00056 -.00027  .00004 .00004
Si        0    .25    3/8  .83 .00212 .00212 .00070       0       0      0
O1   .14972 .85504 .94605 1.08
O2   .14524 .07341 .05680 1.02
O3   .07798 .13404 .92544 1.00