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Eosphorite |
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Diego Gatta G, Nenert G, Vignola P |
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American Mineralogist 98 (2013) 1297-1301 |
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Coexisting hydroxyl groups and H2O molecules in minerals: |
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A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O |
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Note: T = 20 K |
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Locality: Chamachhu, Skarda district, Baltistan, Pakistan |
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_database_code_amcsd 0019910 |
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6.9263 10.4356 13.5234 90 90 90 Cmca |
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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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Mn .25 .13423 .25 .9435 .0063 .0032 .0055 .0103 0 -.0015 0 |
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Fe .25 .13423 .25 .0565 .0063 .0032 .0055 .0103 0 -.0015 0 |
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Al .25 .25 0 .0064 .0033 .0091 .0066 -.0012 .0009 -.0028 |
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P 0 .37739 .33377 .00496 .00327 .0061 .0056 0 0 .0008 |
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O1 0 .26580 .25871 .00642 .00713 .0063 .0058 0 0 -.0007 |
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O2 0 .00716 .21941 .00573 .00510 .0059 .0062 0 0 -.0011 |
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O3 0 .25178 .04931 .00591 .00374 .0076 .0065 0 0 .0004 |
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O4 .18076 .11057 .40962 .00629 .00515 .0069 .00687 .00042 -.00012 -.00024 |
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O5 .31912 .13209 .60046 .00612 .00431 .0076 .00647 .00030 -.00048 .00134 |
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H1 .23517 .02445 .42046 .990 .0192 .0213 .0139 .0225 .0046 -.0007 .0023 |
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H2 .02866 .10127 .41045 .507 .0165 .0092 .0195 .0207 -.0022 .0004 -.0005 |
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H3 0 .28409 .11668 .0235 .0181 .0349 .0176 0 0 -.0073 |
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View JMOL 3-D Structure (permalink) |
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