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Cryptomelane |
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Post J E, Von Dreele R B, Buseck P R |
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Acta Crystallographica B38 (1982) 1056-1065 |
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Symmetry and cation displacements in hollandites: |
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structure refinements of hollandite, cryptomelane and priderite |
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Locality: Chindwara, India |
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Note: -1M polytype |
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Note: Anisotropic displacement factors from ICSD |
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_database_code_amcsd 0009758 |
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9.956 2.8705 9.706 90 90.95 90 I2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 0 0 .65 .026 .017 .072 .015 0 .0015 0 |
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Na 0 .5 0 .11 .03 .023 .045 .019 0 .019 0 |
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Sr 0 .185 0 .04 .02 .013 .045 .008 0 .000 0 |
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Mn4+1 .85145 0 .33185 .79 .0044 .0056 .0029 .0055 0 .0007 0 |
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Mn3+1 .85145 0 .33185 .15 .0044 .0056 .0029 .0055 0 .0007 0 |
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Fe1 .85145 0 .33185 .04 .0044 .0056 .0029 .0055 0 .0007 0 |
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Al1 .85145 0 .33185 .02 .0044 .0056 .0029 .0055 0 .0007 0 |
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Mn4+2 .33546 0 .15305 .79 .0043 .0060 .0028 .0051 0 .0017 0 |
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Mn3+2 .33546 0 .15305 .15 .0043 .0060 .0028 .0051 0 .0017 0 |
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Fe2 .33546 0 .15305 .04 .0043 .0060 .0028 .0051 0 .0017 0 |
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Al2 .33546 0 .15305 .02 .0043 .0060 .0028 .0051 0 .0017 0 |
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O1 .6572 0 .3019 .0068 .0094 .0049 .0072 0 .0021 0 |
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O2 .6561 0 .0420 .0070 .0123 .0050 .0058 0 .0012 0 |
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O3 .2947 0 .3499 .0068 .0082 .0049 .0078 0 .0013 0 |
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O4 .0423 0 .3249 .0072 .0064 .0047 .0126 0 .0007 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Cryptomelane |
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Vicat J, Fanchon E, Strobel P, Tran Qui D |
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Acta Crystallographica B42 (1986) 162-167 |
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The structure of K1.33Mn8O16 and cation ordering in hollandite-type structures |
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Locality: synthetic |
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_cod_database_code 1008322 |
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_database_code_amcsd 0016237 |
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9.866 9.866 2.872 90 90 90 I4/m |
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atom x y z occ |
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K 0 0 .3754 .3333 |
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Mn .34891 .16621 0 |
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O1 .15445 .20295 0 |
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O2 .54206 .16496 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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