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Ercitite |
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Cooper M A, Hawthorne F C, Cerny P |
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The Canadian Mineralogist 47 (2009) 173-180 |
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The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2], |
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and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2] |
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Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada |
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_database_code_amcsd 0006278 |
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6.2499 8.7479 19.9554 90 90 90 Cmca |
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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 .5 .3132 .34717 .89 .0205 .0183 .0275 .0155 0 0 .0045 |
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Ca .5 .3132 .34717 .04 .0205 .0183 .0275 .0155 0 0 .0045 |
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Mn1 .25 .25 .5 .53 .0097 .0075 .0119 .0097 .0001 -.0003 .0011 |
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Fe1 .25 .25 .5 .43 .0097 .0075 .0119 .0097 .0001 -.0003 .0011 |
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Al1 .25 .25 .5 .01 .0097 .0075 .0119 .0097 .0001 -.0003 .0011 |
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Mn2 .75 .560 .25 .07 .029 .034 .033 .018 0 .004 0 |
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P .5 .4767 .09528 .0093 .0102 .0085 .0093 0 0 -.0009 |
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O1 .5 .6282 .0540 .0154 .025 .013 .009 0 0 .001 |
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OH2 .5 .3673 .5267 .0093 .009 .008 .011 0 0 .001 |
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O3 .5 .5198 .1688 .0184 .022 .026 .007 0 0 -.002 |
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O4 .2976 .3845 .07732 .0119 .008 .0156 .0117 .0003 .0003 -.0030 |
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O5w .75 .3280 .25 .0344 .018 .063 .022 0 -.002 0 |
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O6w .5 .5921 .3326 .0235 .023 .026 .022 0 0 -.001 |
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H1 .648 .3936 .226 .1 |
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H2 .6272 .650 .319 .1 |
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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 (permalink) |
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