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Fluorvesuvianite |
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Britvin S N, Antonov A A, Krivovichev S V, Armbruster T, Burns P C, Chukanov N V |
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The Canadian Mineralogist 41 (2003) 1371-1380 |
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Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species |
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from Pitkaranta, Karelia, Russia: Description and crystal structure |
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Locality: Pitkaranta, Karelia, Russia |
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_database_code_amcsd 0005894 |
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15.5295 15.5295 11.7808 90 90 90 *P4/nnc |
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.25 .25 .25 |
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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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Si1 3/4 1/4 0 .803 .0031 .0029 .0029 .0034 0 0 0 |
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Si2 .81894 .04068 .87126 .0097 .0093 .0104 .0095 .0004 .0007 .0007 |
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Si3 .91766 .84952 .36457 .0102 .0135 .0081 .0091 -.0012 .0002 .0008 |
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Ca1 3/4 1/4 1/4 .0113 .0131 .0099 .0108 0 0 0 |
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Ca2 .81096 .04346 .37980 .0111 .0095 .0128 .0109 .0010 -.0002 .0001 |
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Ca3 .89923 .82022 .88711 .0156 .0132 .0130 .0207 .0020 -.0057 -.0026 |
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Ca4 3/4 3/4 .1428 .50 .0140 .0140 .0140 .014 0 0 0 |
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Fe1 3/4 3/4 .0500 .50 .0255 .0141 .0141 .048 0 0 0 |
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Al2 0 0 0 .0103 .0095 .0067 .0148 .0013 .0019 .0003 |
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Fe3 .88813 .12071 .12691 .046 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
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Al3 .88813 .12071 .12691 .780 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
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Mg3 .88813 .12071 .12691 .17 .0080 .0087 .0084 .0070 .0004 .0017 -.0001 |
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O1 .7811 .1714 .0869 .0111 .010 .014 .009 -.0006 -.002 -.0042 |
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O2 .8835 .1594 .2785 .0096 .012 .008 .009 -.0005 -.001 .0016 |
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O3 .9504 .2782 .4233 .0104 .014 .009 .009 -.0025 -.0027 -.0034 |
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O4 .1067 -.0627 .0296 .0106 .010 .009 .012 -.0033 -.0004 .0021 |
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O5 .8305 .0148 .1782 .0121 .009 .012 .015 .0061 .0037 .0008 |
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O6 .8823 .7288 .0590 .0148 .021 .010 .014 .0034 .003 .0025 |
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O7 .0564 .1750 .3221 .0122 .011 .013 .013 .0016 -.0002 .0031 |
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O8 .0906 .0610 .5661 .0104 .010 .009 .012 -.0008 -.0008 -.0028 |
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O9 .8554 .8554 1/4 .0109 .0115 .0115 .010 -.002 -.0017 .0017 |
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O10 3/4 3/4 .8642 .0146 .014 .014 .015 0 0 0 |
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F11 -.0047 .0620 .1374 .72 .0166 .016 .020 .014 -.0006 -.0010 -.0030 |
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O11 -.0047 .0620 .1374 .28 .0166 .016 .020 .014 -.0006 -.0010 -.0030 |
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H 3/4 3/4 3/4 .080 |
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