Cryptomelane
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: Chindwara, India
Note: -1M polytype
Note: Anisotropic displacement factors from ICSD
_database_code_amcsd 0009758
9.956 2.8705 9.706 90 90.95 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)
K          0    0      0 .65  .026   .017   .072   .015      0  .0015      0
Na         0   .5      0 .11   .03   .023   .045   .019      0   .019      0
Sr         0 .185      0 .04   .02   .013   .045   .008      0   .000      0
Mn4+1 .85145    0 .33185 .79 .0044  .0056  .0029  .0055      0  .0007      0
Mn3+1 .85145    0 .33185 .15 .0044  .0056  .0029  .0055      0  .0007      0
Fe1   .85145    0 .33185 .04 .0044  .0056  .0029  .0055      0  .0007      0
Al1   .85145    0 .33185 .02 .0044  .0056  .0029  .0055      0  .0007      0
Mn4+2 .33546    0 .15305 .79 .0043  .0060  .0028  .0051      0  .0017      0
Mn3+2 .33546    0 .15305 .15 .0043  .0060  .0028  .0051      0  .0017      0
Fe2   .33546    0 .15305 .04 .0043  .0060  .0028  .0051      0  .0017      0
Al2   .33546    0 .15305 .02 .0043  .0060  .0028  .0051      0  .0017      0
O1     .6572    0  .3019     .0068  .0094  .0049  .0072      0  .0021      0
O2     .6561    0  .0420     .0070  .0123  .0050  .0058      0  .0012      0
O3     .2947    0  .3499     .0068  .0082  .0049  .0078      0  .0013      0
O4     .0423    0  .3249     .0072  .0064  .0047  .0126      0  .0007      0