Hollandite
Post J E, Von Dreele R B, Buseck P R
Acta Crystallographica B38 (1982) 1056-1065
Symmetry and cation displacements in hollandites:
structure refinements of hollandite, cryptomelane and priderite
Locality: Stuor Njuoskes, Sweden
Note: Anisotropic displacement factors from ICSD
_database_code_amcsd 0009759
10.026 2.8782 9.729 90 91.03 90 I2/m
atom       x    y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba         0    0      0 .34  .014  .0137   .020  .0144  .0000      0      0
Pb         0 .202      0 .04  .036   .031   .059   .029  .0006      0      0
Mn4+1 .85183    0 .33266 .75 .0049  .0063  .0026  .0074 -.0001      0      0
Mn3+1 .85183    0 .33266 .06 .0049  .0063  .0026  .0074 -.0001      0      0
Fe1   .85183    0 .33266 .16 .0049  .0063  .0026  .0074 -.0001      0      0
Al1   .85183    0 .33266 .03 .0049  .0063  .0026  .0074 -.0001      0      0
Mn4+2 .33670    0 .15345 .75 .0050  .0071  .0028  .0064  .0006      0      0
Mn3+2 .33670    0 .15345 .06 .0050  .0071  .0028  .0064  .0006      0      0
Fe2   .33670    0 .15345 .16 .0050  .0071  .0028  .0064  .0006      0      0
Al2   .33670    0 .15345 .03 .0050  .0071  .0028  .0064  .0006      0      0
O1     .6583    0  .3022     .0088  .0100  .0071  .0091  .0000      0      0
O2     .6552    0  .0414     .0084  .0128  .0056  .0080  .0006      0      0
O3     .2940    0  .3502     .0088  .0092  .0074  .0096 -.0003      0      0
O4     .0415    0  .3222     .0079  .0068  .0053  .0133  .0009      0      0