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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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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)
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View JMOL 3-D Structure
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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 |
| |
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-C |
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Locality: Robinson's Reef, Clunes, Victoria, Australia |
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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
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Natropharmacosiderite |
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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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Locality: Gold Hill mine, Utah, USA |
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7.928 7.928 7.928 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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NaNa .050 .5 .5 .125 .023 |
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KNa .050 .5 .5 .023 .023 |
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BaNa .050 .5 .5 .018 .023 |
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Fe .1429 .1429 .1429 .0229 .0229 .0229 .0229 -.0001 -.0001 -.0001 |
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As .5 0 0 .0201 .0163 .0220 .0220 0 0 0 |
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O1 .1261 .1261 .3826 .026 .029 .029 .019 -.010 .002 .002 |
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Oh2 .8861 .8861 .8861 .018 .018 .018 .018 .001 .001 .001 |
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H .8283 .8283 .8283 .021 |
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Wat3 .692 .692 .692 .5 .041 |
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Wat4 .130 .5 .5 .33 .037 |
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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
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Hydroniumpharmacosiderite |
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Mills S J, Hager S L, Leverett P, Williams P A, Raudsepp M |
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Mineralogical Magazine 74 (2010) 487-492 |
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The structure of H3O+ - exchanged pharmacosiderite |
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Locality: Gold Hill mine, Gold Hill, Tooele County, Utah, USA |
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_database_code_amcsd 0014603 |
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7.982 7.982 7.982 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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Fe .1433 .1433 .1433 .0097 .0099 .0099 .0099 -.0004 -.0004 -.0004 |
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As .5 0 0 .0123 .0065 .0153 .0153 0 0 0 |
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O1 .1239 .1239 .3842 .019 .022 .022 .015 -.007 .001 .001 |
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O2 .8867 .8867 .8867 .005 .005 .005 .005 -.002 -.002 -.002 |
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O3 .5 .0500 .5 .5 .048 |
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O4 .6913 .6913 .6913 .5 .028 |
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O5 .5 .5 .5 .5 .035 |
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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
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Pharmacosiderite |
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Mills S J, Hager S L, Leverett P, Williams P A, Raudsepp M |
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Mineralogical Magazine 74 (2010) 487-492 |
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The structure of H3O+ - exchanged pharmacosiderite |
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Locality: Cornwall, England |
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_database_code_amcsd 0014604 |
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7.980 7.980 7.980 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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Fe .1429 .1429 .1429 .015 .015 .015 .015 -.002 -.002 -.002 |
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As .5 0 0 .023 .012 .029 .029 0 0 0 |
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O1 .1230 .1230 .3829 .025 |
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O2 .8868 .8868 .8868 .013 |
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O3 .5 .069 .5 .5 .057 |
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O4 .694 .694 .694 .5 .048 |
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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
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