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Mannardite |
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Szymanski J T |
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The Canadian Mineralogist 24 (1986) 67-78 |
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The crystal structure of mannardite, a new hydrated cryptomelane-group |
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(hollandite) mineral with a doubled short axis |
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14.357 14.357 5.908 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 0 .25 .625 .114 .0213 .0213 .0292 0 0 0 |
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Ba2 0 .25 .5474 .028 .0213 .0213 .0292 0 0 0 |
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Ba3 0 .25 .125 .808 .0191 .0191 .0189 0 0 0 |
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Ba4 0 .25 .0525 .028 .0191 .0191 .0189 0 0 0 |
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Ti1 .24452 .34237 .12453 .746 .0079 .0062 .0052 .0002 -.0006 -.0020 |
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V1 .24452 .34237 .12453 .22 .0079 .0062 .0052 .0002 -.0006 -.0020 |
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Cr1 .24452 .34237 .12453 .034 .0079 .0062 .0052 .0002 -.0006 -.0020 |
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Ti2 .59098 .50933 .12613 .746 .0061 .0092 .0054 -.0008 .0022 -.0008 |
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Cr2 .59098 .50933 .12613 .22 .0061 .0092 .0054 -.0008 .0022 -.0008 |
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V2 .59098 .50933 .12613 .034 .0061 .0092 .0054 -.0008 .0022 -.0008 |
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O1 .32008 .22580 .12611 .0062 .0061 .0067 .0001 .0017 .0004 |
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O2 .35252 .56283 .12194 .0082 .0077 .0063 .0032 .0025 .0039 |
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O3 .18545 .10368 .12477 .0082 .0085 .0064 .0032 .0041 -.0027 |
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O4 .47578 .43039 .12928 .0057 .0067 .0058 .0002 .0000 .0013 |
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Wat1 0 .25 .625 .83 .0213 .0213 .0292 0 0 0 |
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Wat2 0 .25 .125 .136 .0191 .0191 .0189 0 0 0 |
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