Braunite
Moore P B, Araki T
American Mineralogist 61 (1976) 1226-1240
Braunite: its structure and relationship to bixbyite, and some insights on the
genealogy of fluorite derivative structures
_database_code_amcsd 0000543
9.408 9.408 18.668 90 90 90 *I4_1/acd
0 -.25 .125
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mn1      0   .25  .125 .00350 .00350 .00040 -.00240       0       0
Mn2      0     0     0 .00149 .00176 .00038 -.00033 -.00014  .00003
Mn3    .25 .2157     0 .00170 .00137 .00041       0  .00012       0
Mn4  .2318 .4818  .125 .00155 .00155 .00038 -.00017 -.00002  .00002
Si       0   .25  .375 .00130 .00130 .00048       0       0       0
O1   .1487 .8537 .9453 .00238 .00188 .00055  .00017 -.00005 -.00002
O2   .1457 .0734 .0569 .00155 .00146 .00058 -.00023 -.00080  .00031
O3   .0787 .1347 .9250 .00226 .00155 .00067  .00007 -.00023  .00006