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Gelosaite |
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Orlandi P, Demartin F, Pasero M, Leverett P, Williams P A, Hibbs D E |
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American Mineralogist 96 (2011) 268-273 |
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Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)·H2O (0<=x<=0.4), a new mineral from |
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Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, |
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New England, Australia |
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Locality: Su Senargiu, Sardinia, Italy |
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_database_code_amcsd 0018668 |
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5.8505 9.0421 13.9173 90 100.42 90 P2_1/n |
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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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Bi .403568 .416894 .106492 .01002 .01043 .00849 .00829 .00045 .00220 .00109 |
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Mo1 .86623 .10399 .157185 .00901 .01168 .00809 .00835 .00116 .00261 .00165 |
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Mo2 .63232 .22137 .340837 .00927 .0218 .0222 .0162 .0025 .0048 .0017 |
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Mo3 .6321 -.0443 .3396 .028 .0124 .0210 .0161 .0103 .0042 .0019 -.0006 |
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Mo4 1.0937 .2597 .3943 .074 .0204 .0150 .0170 .0236 -.0025 .0049 .0074 |
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Ow .9606 .4172 .34252 .0199 .0177 .0110 .0109 .0055 .0049 .0023 |
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O2 .7548 .09301 .03404 .0159 .0289 .0140 .0109 .0106 .0042 .0045 |
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O3 .3999 .10589 .33664 .0184 .0139 .0127 .0129 -.0079 .0063 -.0060 |
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O4 .6397 .24002 .19069 .0129 .0121 .0092 .0137 .0008 .0020 -.0008 |
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O5 .7450 .2435 .46385 .0179 .0145 .0112 .0084 .0047 .0019 .0044 |
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Oh .8231 -.08846 .48180 .0127 .0202 .0199 .0201 -.0070 .0026 .0018 |
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O7 1.0121 -.08756 .18310 .0117 |
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O8 .8649 .08618 .31149 .0114 |
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O9 1.1009 .21738 .16456 .0202 |
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H(1w) 1.028 .426 .303 .048 |
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H(2w) 1.041 .428 .393 .034 |
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H3 .7578 -.1696 .4894 .050 |
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Gillardite |
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Clissold M E, Leverett P, Williams P A, Hibbs D E, Nickel E H |
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The Canadian Mineralogist 45 (2007) 317-320 |
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The structure of gillardite, the Ni-analogue of herbertsmithite, from |
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Widgiemooltha, Western Australia |
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Locality: 132N deposit, Widgiemooltha, Australia |
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_database_code_amcsd 0006139 |
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6.8364 6.8364 13.8459 90 90 120 R-3m |
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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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Cu2 .5 0 0 .0054 .0053 .0049 .0058 .00245 .00055 .0011 |
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Ni1 0 0 .5 .903 .0043 .0049 .0049 .0031 .00245 0 0 |
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Cu1 0 0 .5 .081 .0043 .0049 .0049 .0031 .00245 0 0 |
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Co1 0 0 .5 .012 .0043 .0049 .0049 .0031 .00245 0 0 |
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Fe1 0 0 .5 .004 .0043 .0049 .0049 .0031 .00245 0 0 |
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Cl 0 0 .1933 .0073 .0080 .0080 .0059 .0040 0 0 |
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O .2070 -.2070 .0624 .0073 .0067 .0067 .0087 .0034 .0011 -.0011 |
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H .1440 -.1440 .0858 .022 |
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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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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-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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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)
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Gagarinite-(Ce) |
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Sciberras M J, Leverett P, Williams P A, Hibbs D E, Roberts A C, Grice J D |
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The Canadian Mineralogist 49 (2011) 1111-1114 |
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The single-crystal X-ray structure of gagarinite-(Ce) |
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Locality: Strange Lake deposit, Quebec-Labrador, Canada |
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_database_code_amcsd 0018644 |
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6.0861 6.0861 3.6810 90 90 120 P6_3/m |
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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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Ce 2/3 1/3 .25 .275 .006 .007 .007 .003 .0035 0 0 |
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La 2/3 1/3 .25 .143 .006 .007 .007 .003 .0035 0 0 |
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Nd 2/3 1/3 .25 .099 .006 .007 .007 .003 .0035 0 0 |
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Y 2/3 1/3 .25 .044 .006 .007 .007 .003 .0035 0 0 |
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Gd 2/3 1/3 .25 .033 .006 .007 .007 .003 .0035 0 0 |
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Sm 2/3 1/3 .25 .011 .006 .007 .007 .003 .0035 0 0 |
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Dy 2/3 1/3 .25 .006 .006 .007 .007 .003 .0035 0 0 |
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Ca 2/3 1/3 .25 .45 .006 .007 .007 .003 .0035 0 0 |
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Na 0 0 0 .45 .012 .002 .002 .033 .001 0 0 |
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F .3046 .3890 .25 .008 .008 .008 .008 .004 0 0 |
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Zincolibethenite |
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Williams P A, Leverett P, Birch W D, Hibbs D E, Kilitsch U, Mihajlovic T |
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Australian Journal of Mineralogy 12 (2006) 3-7 |
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Zinc-rich zincolibethenite from Broken Hill, New South Wales |
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Locality: Block 14 open cut, Broken Hill, New South Wales, Australia |
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Note: z-coordinate of O3 altered by communication with authors, April 2010 |
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_database_code_amcsd 0012060 |
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8.323 8.251 5.861 90 90 90 Pnnm |
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atom x y z occ Uiso |
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Zn1 .3606 .3709 .5 .008 |
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Cu 0 .5 .2509 .94 .010 |
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Zn2 0 .5 .2509 .06 .010 |
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P .2335 .2529 0 .98 .006 |
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As .2335 .2529 0 .02 .006 |
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O1 .1098 .1131 0 .011 |
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O2 .1329 .4131 0 .009 |
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O3 .3405 .2425 .2119 .011 |
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Oh .1167 .3937 .5 .009 |
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H .0920 .3070 .5 .038 |
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Connellite |
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Hibbs D E, Leverett P, Williams P A |
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Axis 2 (2006) 1-7 |
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Connellite from Bisbee, Arizona: A single-crystal X-ray study |
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Locality: Bisbee, Arizona, USA |
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_database_code_amcsd 0012063 |
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15.7866 15.7866 9.1015 90 90 120 P6_3/mmc |
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atom x y z occ Uiso |
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Cu(1) .5 0 0 .25 .014 |
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Cu(2) .2011 0 0 .5 .012 |
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Cu(3) .3364 .1682 .75 .25 .010 |
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Cu(4) .3585 .0165 .25 .5 .010 |
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Cl(3) 0 0 0 .043 .011 |
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Cl(1) .2772 .1386 .25 .25 .012 |
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OH1 .4504 .3707 .0918 .012 |
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OH2 .0749 -.0749 .0989 .5 .020 |
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OH3 .6744 .7442 .1102 .011 |
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OH4 .4424 .5576 .25 .25 .014 |
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OW .5070 .2540 .75 .040 .017 |
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Cl(4) 2/3 1/3 .25 .034 .015 |
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N(1) 2/3 1/3 .25 .021 .015 |
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O(1a) .6226 .3774 .25 .063 .017 |
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O(1b) .6150 .3850 .25 .084 .017 |
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S(1) 2/3 1/3 .2999 .028 .014 |
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O(1c) 2/3 1/3 .4620 .028 .014 |
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| Download AMC data (View Text File)
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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Mineralogical Magazine 67 (2003) 47-60 |
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A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
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Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination |
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of the crystal chemistry of the buttgenbachite-connellite series |
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Locality: Likasi, Democratic Republic of Congo |
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Note: T = 100 K |
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_database_code_amcsd 0018302 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .010 .008 .011 .012 .005 -.001 -.002 |
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Cu2 .2013 0 0 .011 .011 .009 .011 .004 .001 .002 |
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Cu3 .3360 .1680 .75 .008 .011 .007 .008 .006 0 0 |
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Cu4 .3590 .0175 .25 .009 .007 .009 .008 .002 0 0 |
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Cl3 0 0 0 .6 .016 .014 .014 .020 .007 0 0 |
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Cl1 .2772 .1386 .25 .014 .015 .011 .016 .008 0 0 |
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OH1 .4505 .3699 .0899 .011 .010 .010 .011 .005 .001 .001 |
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OH2 .0750 -.0750 .0985 .021 .014 .014 .023 -.001 .005 -.005 |
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OH3 .6743 .7443 .1094 .010 .012 .010 .010 .006 .001 .001 |
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OH4 .4444 .5556 .25 .029 .046 .046 .015 .040 0 0 |
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Wat1 .5070 .2536 .75 .18 .026 |
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N1 2/3 1/3 .25 .18 .022 |
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Cl4 2/3 1/3 .25 .30 .022 |
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O1a .6222 .3778 .25 .18 .017 |
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O1b .6153 .3847 .25 .18 .017 |
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S1 2/3 1/3 .3040 .09 .020 |
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O1c 2/3 1/3 .0320 .09 .020 |
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N2 2/3 1/3 .0860 .24 .022 |
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Wat2 2/3 1/3 .0860 .06 .022 |
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O2 .7113 .2887 .0860 .24 .022 |
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| Download AMC data (View Text File)
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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Mineralogical Magazine 67 (2003) 47-60 |
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A single crystal X-ray study of a sulphate-bearing buttgenbachite, |
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Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination |
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of the crystal chemistry of the buttgenbachite-connellite series |
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Locality: Likasi, Democratic Republic of Congo |
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Note: T = 288 K |
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_database_code_amcsd 0018303 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .013 .009 .013 .017 .007 -.001 -.003 |
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Cu2 .2014 0 0 .013 .012 .012 .016 .006 .001 .003 |
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Cu3 .3355 .1677 .75 .011 .014 .009 .011 .007 0 0 |
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Cu4 .3592 .0172 .25 .012 .009 .012 .012 .002 0 0 |
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Cl3 0 0 0 .60 .020 .024 .024 .014 .012 0 0 |
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Cl1 .2773 .1387 .25 .021 .021 .014 .030 .010 0 0 |
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OH1 .4503 .3703 .0918 .013 .008 .014 .015 .004 .003 .004 |
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OH2 .0749 -.0749 .0993 .024 .021 .021 .024 .004 .004 -.004 |
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OH3 .6744 .7452 .1101 .011 .014 .011 .011 .009 .002 .003 |
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OH4 .4437 .5563 .25 .25 .037 .058 .058 .017 .045 0 0 |
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Wat1 .5080 .2540 .75 .18 .030 |
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N1 2/3 1/3 .25 .18 .028 |
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Cl4 2/3 1/3 .25 .30 .028 |
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O1a .6226 .3774 .25 .18 .032 |
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O1b .6155 .3845 .25 .18 .032 |
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S1 2/3 1/3 .3045 .09 .022 |
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O1c 2/3 1/3 .0320 .09 .022 |
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N2 2/3 1/3 .100 .24 .028 |
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Wat2 2/3 1/3 .100 .06 .028 |
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O2 .7115 .2885 .100 .24 .029 |
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| Download AMC data (View Text File)
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Buttgenbachite |
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Hibbs D E, Leverett P, Williams P A |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 225-240 |
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Buttgenbachite from Bisbee, Arizona, USA: A single-crystal X-ray study |
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Locality: Bisbee, Arizona, USA |
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_database_code_amcsd 0014920 |
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15.739 15.739 9.127 90 90 120 P6_3/mmc |
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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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Cu1 .5 0 0 .011 .010 .014 .012 .007 -.001 -.002 |
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Cu2 .2014 0 0 .011 .012 .010 .011 .005 .001 .002 |
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Cu3 .3357 .16785 .75 .010 .013 .009 .009 .007 0 0 |
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Cu4 .3586 .0165 .25 .010 .008 .011 .008 .002 0 0 |
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Cl1 .2768 .1384 .25 .014 .016 .011 .016 .008 0 0 |
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Cl3 0 0 0 .5 .015 .013 .013 .019 .006 0 0 |
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OH1 .4501 .3699 .0912 .012 .015 .011 .009 .006 .003 .001 |
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OH2 .0753 -.0753 .0991 .021 .014 .014 .023 -.002 .005 -.005 |
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OH3 .6737 .7441 .1097 .012 .014 .012 .011 .008 .001 .001 |
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OH4 .4423 .5577 .25 .009 .021 .021 .000 .021 0 0 |
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N1 2/3 1/3 .25 .5 .013 |
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Cl2 2/3 1/3 .25 .5 .013 |
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O1 .6216 .3784 .25 .011 |
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Wat .5100 .2552 .8070 .1 .011 |
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| Download AMC data (View Text File)
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Rhodonite |
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Leverett P, Williams P A, Hibbs D E |
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The Mineralogical Record 39 (2008) 125-130 |
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Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, |
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Minas Gerais, Brazil |
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Locality: the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil |
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_database_code_amcsd 0018494 |
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6.6818 7.6330 11.795 105.49 92.49 94.01 P-1 |
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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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Mn1 .12599 .31643 .44484 .88 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
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Mg1 .12599 .31643 .44484 .05 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
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Fe1 .12599 .31643 .44484 .07 .00626 .0059 .0071 .00550 .00042 -.00026 .00127 |
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Mn2 -.03020 .88219 .85207 .89 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
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Mg2 -.03020 .88219 .85207 .04 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
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Fe2 -.03020 .88219 .85207 .07 .00600 .0050 .00678 .00600 .00103 -.00026 .00125 |
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Mn3 .18772 .51011 .73004 .87 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
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Mg3 .18772 .51011 .73004 .06 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
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Fe3 .18772 .51011 .73004 .07 .00586 .0054 .0062 .00554 .00081 -.00089 .00102 |
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Mn4 .20459 .70105 .02455 .75 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
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Mg4 .20459 .70105 .02455 .15 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
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Fe4 .20459 .70105 .02455 .10 .00723 .0081 .0093 .0050 .00372 .00089 .00242 |
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Mn5 .35490 -.04369 .30145 .42 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
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Ca1 .35490 -.04369 .30145 .51 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
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Fe5 .35490 -.04369 .30145 .02 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
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Mg5 .35490 -.04369 .30145 .05 .01047 .0085 .0057 .0152 -.00078 .00363 -.00077 |
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Si1 .29379 .54200 .26260 .00674 .0060 .0082 .0059 .0008 .0007 .0017 |
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Si2 .36280 .73554 .53066 .00647 .0058 .0085 .0050 .0002 -.0003 .0019 |
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Si3 .15369 .07625 .65421 .00622 .0060 .0064 .0061 .0003 -.0001 .0014 |
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Si4 .50381 .78135 .87506 .00632 .0050 .0076 .0059 .0005 -.0002 .0012 |
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Si5 .24626 .25610 .91103 .00656 .0062 .0079 .0057 .0001 -.0004 .0021 |
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O1 .1099 .2514 .61131 .0083 .0091 .0082 .0077 .0009 -.0003 .0025 |
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O2 .1933 .5999 .56407 .0086 .0092 .0089 .0080 -.0001 .0010 .0030 |
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O3 .0396 .0440 .32101 .0081 .0072 .0089 .0075 -.0009 .0004 .0016 |
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O4 .1063 .4006 .26904 .0082 .0054 .0094 .0094 .0007 .0006 .0019 |
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O5 .0577 .1579 .96028 .0082 .0072 .0092 .0083 .0006 .0008 .0026 |
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O6 .5161 .5794 .77974 .0079 .0067 .0087 .0073 .0001 .0015 .0002 |
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O7 .1926 .4525 .90252 .0094 .0104 .0088 .0094 .0014 -.0006 .0036 |
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O8 .3767 .6832 .38846 .0098 .0110 .0102 .0066 -.0018 .0014 .0000 |
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O9 -.3388 .9348 .85425 .0082 .0081 .0088 .0079 .0004 .0005 .0028 |
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O10 .4183 .2440 .40742 .0149 .0087 .0268 .0118 .0005 -.0005 .0100 |
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O11 .2998 .1396 .77781 .0085 .0073 .0103 .0067 -.0001 -.0014 .0009 |
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O12 .5521 .7437 .00472 .0076 .0065 .0096 .0068 -.0004 -.0007 .0028 |
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O13 .2657 .8007 .86878 .0082 .0060 .0084 .0104 .0014 .0006 .0027 |
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O14 .2551 .6805 .18616 .0116 .0105 .0151 .0109 .0022 -.0009 .0062 |
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O15 .2940 .9467 .56205 .0124 .0143 .0062 .0162 .0014 .0075 .0010 |
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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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| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
