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Bobtraillite |
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McDonald A M, Chao G Y |
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The Canadian Mineralogist 43 (2005) 747-758 |
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Bobtraillite, (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12*12H2O, |
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a new mineral species from Mont Saint-Hilaire, Quebec: description, |
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structure determination and relationship to benitoite and wadeite |
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Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0006016 |
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19.720 19.720 9.9788 90 90 120 P-3c1 |
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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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Nal .7823 .8913 .9997 .837 .028 .024 .027 .031 .012 .002 .013 |
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Na2 .6719 .6718 .4947 .24 .048 .037 .034 .050 .001 .021 .025 |
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Sr .43604 .56401 .50000 .916 .0140 .0126 .0124 .0152 .0049 -.0012 -.0010 |
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Zr1 .56592 .78293 .50000 .0088 .0100 .0096 .0068 .0050 .0001 .0001 |
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Zr2 0 0 .5 .0066 .0076 .0076 .0045 .0038 0 0 |
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Si1 .8702 0 .75 .0118 .0108 .013 .012 .0067 .0001 .0002 |
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Si2 .69223 .91164 .7501 .0123 .0094 .0128 .0126 .0040 .0002 .0005 |
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Si3 .56438 .65133 .7500 .0106 .0117 .0116 .0113 .0079 -.0008 -.0005 |
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Si4 .42971 .74333 .7500 .0095 .0089 .0104 .0104 .0058 .0003 .0002 |
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B .4798 .4798 .75 .015 .018 .018 .010 .009 -.001 .001 |
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O1 .4776 .7846 .6164 .0156 .018 .016 .014 .009 .006 .003 |
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O2 .4779 .6932 .3824 .0150 .015 .016 .013 .007 -.006 -.006 |
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O3 .6517 .8683 .6164 .026 .032 .030 .015 .016 -.009 -.008 |
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O4 .7809 .9237 .7497 .0216 .011 .009 .041 .002 .001 .003 |
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O5 .9999 .0885 .3860 .026 .026 .025 .027 .012 .001 .008 |
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O6 .5585 .8674 .3870 .0158 .017 .021 .011 .011 -.001 .004 |
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O7 .5584 .6911 .6141 .0143 .015 .015 .011 .006 .001 .003 |
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O8 .6516 .7836 .3843 .026 .036 .028 .015 .016 .010 .001 |
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O9 .4893 .5618 .7498 .0146 .010 .010 .020 .003 -.001 -.001 |
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O10 .4005 .6492 .7498 .0119 .003 .003 .027 -.001 -.001 .001 |
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O11 .6423 .6423 .75 .013 .013 .013 .017 .009 .001 -.001 |
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O12 .7028 0 .75 .020 .009 .010 .041 .005 -.002 -.040 |
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OH13 .4418 .4418 .6216 .025 .026 .027 .024 .015 -.006 -.007 |
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Wat14 .7762 .9998 .0907 .058 .058 .049 .061 .023 .015 .000 |
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View JMOL 3-D Structure (permalink) |
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