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Creedite |
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Giuseppetti G, Tadini C |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 69-78 |
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Structural analysis and refinement of Bolivian creedite, Ca3Al2F8(OH)2(SO4)*2(H2O): |
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The role of the hydrogen atoms |
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Locality: Tin mines of the Catavi (Llallagua) zone, Bolivia |
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_database_code_amcsd 0014772 |
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13.936 8.606 9.985 90 94.39 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .2472 .2182 .1927 .67 .0011 .0020 .0014 -.0002 .0002 -.0001 |
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Ca2 0 .0269 .25 .78 .0007 .0026 .0026 0 .0002 0 |
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Al .2983 .3997 .4876 .54 .0009 .0015 .0013 -.0002 .0001 .0000 |
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F1 .1407 .1185 .3468 .94 .0012 .0040 .0018 -.0005 -.0002 .0002 |
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F2 .4089 .4540 .4252 1.23 .0015 .0041 .0036 -.0009 .0012 -.0003 |
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F3 .2650 .4016 .0239 .91 .0018 .0018 .0020 -.0002 .0002 .0003 |
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F4 .2361 .4404 .3213 .97 .0019 .0025 .0016 .0001 -.0002 .0000 |
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Oh .3082 .1899 .4379 .67 .0007 .0019 .0025 .0002 .0005 .0000 |
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H .355 .154 .434 1.4 |
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S 0 .6573 .25 .73 .0008 .0021 .0025 0 .0003 0 |
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O1 .4216 .2610 .1926 1.05 .0010 .0034 .0034 .0003 -.0001 .0004 |
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O2 .4666 .0607 .3578 1.41 .0018 .0038 .0046 .0003 .0014 .0016 |
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Ow .0716 .2579 .1167 1.28 .0022 .0032 .0030 .0006 -.0001 .0001 |
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Hw1 .064 .246 .038 3.3 |
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Hw2 .054 .349 .128 3.1 |
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View JMOL 3-D Structure (permalink) |
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