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Rogermitchellite |
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McDonald A M, Chao G Y |
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The Canadian Mineralogist 48 (2010) 267-278 |
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Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24*18H2O, |
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a new mineral species from Mont Saint-Hilaire, Quebec: |
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Description, structure determination and relationship with HFSE-bearing cyclosilicates |
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Locality: Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0006329 |
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26.509 26.509 9.975 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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Na1 .9184 .8370 .499 .059 .046 .048 .088 .026 -.016 -.016 |
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Sr1 .67649 .5817 .5005 .91 .017 .014 .017 .017 .006 .000 -.002 |
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Na1 .67649 .5817 .5005 .09 .017 .014 .017 .017 .006 .000 -.002 |
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Sr2 .9051 .5816 .4997 .89 .016 .015 .015 .018 .008 .003 .003 |
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Na2 .9051 .5816 .4997 .11 .016 .015 .015 .018 .008 .003 .003 |
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Ba 2/3 1/3 .5 .0196 .0158 .0158 .027 .0079 0 0 |
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Zr1 .83860 .4193 .5 .0105 .0088 .013 .0087 .005 .0005 .000 |
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Zr2 .8389 .67753 .4999 .0109 .012 .0120 .0087 .006 .002 .0001 |
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Zr3 0 0 .5 .0073 .010 .010 .001 .0052 0 0 |
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Si1 .9355 .6769 .2501 .010 .006 .004 .016 -.001 .000 .000 |
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Si2 .6802 .4470 .2501 .007 .009 .002 .011 .005 .000 .000 |
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Si3 .8086 .4892 .2498 .009 .009 .008 .010 .005 .000 .000 |
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Si4 .9354 .4192 .2500 .011 .010 .014 .010 .006 .001 -.001 |
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Si5 .7670 .5764 .2502 .010 .008 .009 .012 .004 -.001 .001 |
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Si6 .9341 .7716 .7496 .014 .016 .013 .014 .006 -.001 -.003 |
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Si7 0 .9042 .75 .010 .011 .014 .004 .005 -.001 .000 |
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B1 0 .6148 .25 .78 .07 .03 .15 .07 .08 .02 .08 |
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Si1 0 .6148 .25 .22 .07 .03 .15 .07 .08 .02 .08 |
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B2 0 .6443 .75 .72 .05 .02 .02 .07 .00 -.11 .07 |
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Si2 0 .6443 .75 .28 .05 .02 .02 .07 .00 -.11 .07 |
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O1 .7727 .3561 .384 .010 .022 .008 .000 .008 -.011 -.009 |
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O2 .9025 .4156 .387 .014 .014 .015 .007 .004 .006 .002 |
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O3 .7030 .5183 .250 .013 .002 .000 .022 -.010 .004 .002 |
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O4 .7723 .6120 .384 .019 .012 .005 .031 -.002 -.001 -.009 |
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O5 0 .5222 .75 .009 .013 .010 .006 .006 -.002 -.001 |
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O6 .8403 .6124 .617 .016 .015 .004 .025 .003 .009 .003 |
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O7 .9010 .6729 .386 .012 .016 .006 .016 .008 .007 .000 |
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O8 .9468 .5827 .751 .014 .018 .007 .022 .010 .001 .002 |
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O9 .8399 .4839 .119 .011 .021 .006 .009 .008 .005 .000 |
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O10 .7384 .4409 .251 .010 .000 .009 .018 .000 .004 .001 |
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O11 .8403 .4842 .380 .014 .017 .012 .012 .006 -.001 -.002 |
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O12 .9997 .9353 .616 .020 .023 .022 .014 .010 .003 .006 |
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O13 .8149 .5537 .249 .011 .011 .003 .023 .006 .001 -.003 |
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O14 .6434 .4162 .117 .011 .010 .010 .009 .001 -.009 .001 |
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O15 .9026 .4874 .612 .015 .019 .022 .005 .011 .000 -.003 |
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O16 0 .7359 .25 .014 .000 .014 .02 .000 .002 .001 |
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O17 .9458 .6204 .250 .012 .012 .013 .015 .008 .001 .003 |
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O18 0 .7798 .75 .017 .013 .010 .03 .006 .003 .001 |
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O19 .9007 .6727 .114 .010 .014 .006 .012 .006 -.009 .005 |
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O20 .9016 .7411 .615 .021 .019 .028 .017 .012 -.014 -.018 |
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O21 .9426 .8380 .751 .022 .000 .013 .041 .005 .002 .005 |
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O22 .8392 .7410 .384 .020 .024 .028 .013 .016 .003 .017 |
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OH23 .9995 .5848 .377 .028 .042 .020 .02 .019 -.003 .016 |
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OH24 .0000 .6728 .617 .029 .003 .040 .03 .001 .003 .002 |
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Wat25 .9999 .8332 .411 .067 .08 .06 .07 .04 -.01 -.01 |
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Wat26 0 .5 .5 .40 .1 |
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Wat27 .999 .758 .961 .42 .1 |
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View JMOL 3-D Structure (permalink) |
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