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Meurigite-K |
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Kampf A R, Pluth J J, Chen Y S |
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American Mineralogist 92 (2007) 1518-1524 |
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The crystal structure of meurigite |
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Locality: Santa Rita mine, Grant County, New Mexico |
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_database_code_amcsd 0004452 |
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29.018 5.1892 19.695 90 106.987 90 C2/c |
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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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K1 .4309 .548 .4743 .264 .096 .087 .150 .041 .052 .001 .009 |
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K2 .4150 .308 .4687 .198 .061 .076 .069 .031 -.032 .005 .011 |
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Fe1 .3257 .4157 .6374 .937 .0063 .0070 .0040 .0077 .0006 .0019 -.0001 |
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Fe2 .3785 .3837 .7894 .938 .0065 .0070 .0043 .0082 -.0003 .0022 .0003 |
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Fe3 .4504 .1396 .6688 .922 .0058 .0055 .0044 .0071 .0001 .0014 .0000 |
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Fe4 .2952 .1875 .8794 .929 .0070 .0068 .0055 .0088 -.0008 .0024 .0005 |
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P1 .3514 .9314 .5494 .927 .0051 .0051 .0037 .0064 -.0004 .0015 -.0011 |
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P2 .3053 .9043 .7390 .866 .0040 .0045 .0009 .0069 -.0001 .0024 -.0006 |
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P3 .4459 .8815 .8119 .934 .0058 .0059 .0038 .0076 -.0008 .0019 .0009 |
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O1 .4041 .9978 .5846 .0141 .008 .017 .016 -.002 .001 -.003 |
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O2 .3418 .9391 .4688 .0127 .013 .014 .011 -.002 .003 -.001 |
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O3 .3182 .1243 .5720 .0152 .016 .013 .017 .001 .005 -.006 |
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O4 .3398 .6584 .5710 .0156 .021 .009 .017 -.002 .006 .004 |
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O5 .2529 .8770 .6957 .0154 .009 .014 .019 .001 -.001 -.007 |
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O6 .3117 .9129 .8204 .0146 .021 .007 .018 -.001 .009 .000 |
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O7 .3269 .1619 .7199 .0118 .015 .008 .012 -.001 .004 .001 |
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O8 .3347 .6691 .7237 .0105 .012 .009 .011 .001 .004 .001 |
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O9 .4167 .0966 .8328 .0161 .021 .011 .017 .008 .007 .004 |
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O10 .4299 .6221 .8344 .0139 .018 .008 .015 -.005 .004 .003 |
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O11 .4379 .8738 .7312 .0134 .017 .012 .012 -.003 .004 .001 |
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O12 .5004 .9152 .6473 .0154 .009 .019 .017 .001 .002 -.004 |
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OH1 .2564 .4681 .6052 .0146 .009 .012 .023 .001 .004 -.005 |
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OH2 .3991 .3834 .6920 .0110 .011 .008 .013 .001 .002 .001 |
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OH3 .3444 .4240 .8609 .0110 .013 .007 .014 -.002 .007 .000 |
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OH4 .5 .3041 .75 .0127 .012 .012 .012 0 .000 0 |
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Wat1 .2770 .4744 .9450 .0155 .015 .016 .016 .005 .004 -.001 |
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Wat2 .4636 .4287 .6062 .0251 .037 .016 .019 -.013 .004 .003 |
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Wat3 .4515 .9870 .4807 .903 .167 .061 .432 .014 -.092 .021 -.030 |
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Wat4 .5 0 .5 .629 .106 .183 .120 .025 .000 .045 .020 |
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| Download AMC data (View Text File)
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Kapundaite |
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Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A, |
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Raudsepp M, Chen Y S |
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American Mineralogist 95 (2010) 754-760 |
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Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3·5H2O, a new phosphate species from |
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Toms quarry, South Australia: Description and structural |
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relationship to melonjosephite |
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Locality: Toms quarry, South Australia |
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_database_code_amcsd 0018799 |
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6.317 7.698 9.768 105.53 99.24 90.09 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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Na .439 .7184 .4298 .67 .056 .12 .016 .028 .004 .009 .008 |
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Ca .439 .7184 .4298 .33 .056 .12 .016 .028 .004 .009 .008 |
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Fe1 .5 0 0 .013 .02 .018 .004 -.009 .002 .003 |
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Fe2 0 0 0 .017 .03 .017 .003 .003 .002 .004 |
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Fe3 .7976 .6972 .1730 .024 .02 .016 .033 -.003 .010 .003 |
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P1 .177 .8785 .7118 .015 .01 .013 .026 .005 .009 .005 |
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P2 .278 .6868 .1002 .021 .02 .012 .033 .002 .006 .010 |
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O1 .832 .940 .323 .021 .02 .020 .024 -.010 -.003 .008 |
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O2 .157 .723 .572 .023 .03 .015 .028 .001 .014 -.001 |
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O3 .011 .143 .204 .034 .06 .019 .029 .002 .018 .007 |
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O4 .414 .861 .802 .046 .09 .019 .026 -.025 -.007 .004 |
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O5 .482 .686 .191 .019 |
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O6 .114 .683 .195 .020 |
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O7 .771 .463 .038 .024 |
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O8 .262 .871 .059 .017 .01 .018 .031 .002 .009 .012 |
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OH .242 .165 .976 .027 .03 .029 .027 -.013 -.003 .013 |
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Wat1 .831 .611 .372 .035 .07 .024 .023 .002 .007 .019 |
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Wat2 .351 .394 .349 .05 .08 .044 .036 -.02 .005 .004 |
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Wat3 .669 .979 .584 .06 .11 .011 .054 .02 .005 .013 |
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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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