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
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Hollandite
Miura H
Mineralogical Journal 13 (1986) 119-129
The crystal structure of hollandite
Locality: Gowari Wadhona, India
_database_code_amcsd 0014428
10.006 2.866 9.746 90 91.17 90 I2/m
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba 0 .5 0 .75 .00257 .0701 .00279 0 .00027 0
K 0 .5 0 .19 .00257 .0701 .00279 0 .00027 0
Mn1 .16405 0 .34692 .98 .00122 .0102 .00143 0 .00041 0
Fe1 .16405 0 .34692 .02 .00122 .0102 .00143 0 .00041 0
Mn2 .35185 0 .83170 .98 .00101 .0098 .00167 0 .00012 0
Fe2 .35185 0 .83170 .02 .00101 .0098 .00167 0 .00012 0
O1 .2056 0 .1495 .0015 .0164 .0035 0 .0002 0
O2 .1580 0 .8019 .0019 .0164 .0026 0 .0003 0
O3 .1548 0 .5431 .0028 .0148 .0023 0 .0003 0
O4 .5418 0 .8231 .0015 .0158 .0036 0 .0003 0
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