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Bariopharmacosiderite |
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Hager S L, Leverett P, Williams P A, Mills S J, |
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Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
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The Canadian Mineralogist 48 (2010) 1477-1485 |
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The single-crystal X-ray structures of bariopharmacosiderite-C, |
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bariopharmacosiderite-Q and natropharmacosiderite |
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Note: sample Bariopharmacosiderite-Q |
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Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia |
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_database_code_amcsd 0020841 |
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7.947 7.947 8.049 90 90 90 P-42m |
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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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Ba .5 .5 0 .50 .0330 .033 .033 .033 0 0 0 |
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Fe .1422 .1422 .1437 .0078 .0064 .0064 .0110 -.0004 -.0004 -.0004 |
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Oh2 .8858 .8858 .8868 .011 .014 .014 .007 -.001 -.001 -.001 |
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As1 0 0 .5 .0112 .0110 .0110 .012 0 0 0 |
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As2 .5 0 0 .0148 .0077 .019 .0175 0 0 0 |
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O1A .1248 .1248 .3830 .016 .016 .016 .015 -.002 .000 .000 |
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O1B .1252 .3855 .1214 .012 .014 .004 .016 -.002 -.004 .002 |
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H .828 .828 .821 .020 |
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Wat1A .333 .333 .740 .50 .017 |
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Wat1B .326 .255 .673 .145 .015 |
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Wat2A .5 0 .5 .70 .020 |
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Wat2B .160 .5 .5 .30 .022 |
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Wat2C .5 .5 .129 .20 .016 |
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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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Bariopharmacosiderite |
| |
Hager S L, Leverett P, Williams P A, Mills S J, |
|
Hibbs D E, Raudsepp M, Kampf A R, Birch W D |
| |
The Canadian Mineralogist 48 (2010) 1477-1485 |
|
The single-crystal X-ray structures of bariopharmacosiderite-C, |
|
bariopharmacosiderite-Q and natropharmacosiderite |
|
Note: sample Bariopharmacosiderite-C |
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Locality: Robinson's Reef, Clunes, Victoria, Australia |
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_database_code_amcsd 0020842 |
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7.942 7.942 7.942 90 90 90 P-43m |
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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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BaBa 0 .5 .5 .156 .016 |
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KBa 0 .5 .5 .013 .016 |
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NaBa 0 .5 .5 .007 .016 |
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FeFe .1431 .1431 .1431 .99 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
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AlFe .1431 .1431 .1431 .01 .016 .016 .016 .016 -.0018 -.0018 -.0018 |
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Oh2 .888 .888 .888 .010 .010 .010 .010 .000 .000 .000 |
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AsAs .5 0 0 .72 .019 .008 .025 .025 0 0 0 |
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PAs .5 0 0 .28 .019 .008 .025 .025 0 0 0 |
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O1 .124 .387 .124 .031 .029 .036 .036 .003 .003 .005 |
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H .831 .831 .831 .014 |
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Wat1 .688 .688 .688 .18 .03 |
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Wat2 .198 .5 .5 .3 .03 |
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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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