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Feruvite |
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Grice J D, Robinson G W |
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The Canadian Mineralogist 27 (1989) 199-203 |
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Feruvite, a new member of the tourmaline group, and its crystal structure |
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Locality: Cuvier Island, New Zealand |
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_database_code_amcsd 0005228 |
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16.012 16.012 7.245 90 90 120 R3m |
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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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CaX 0 0 .2222 .62 .0167 .0167 .0197 .00835 0 0 |
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NaX 0 0 .2222 .38 .0167 .0167 .0197 .00835 0 0 |
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FeY .12299 .06149 .63661 .51 .0102 .0073 .0119 .0051 -.0044 -.0022 |
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MgY .12299 .06149 .63661 .403 .0102 .0073 .0119 .0051 -.0044 -.0022 |
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TiY .12299 .06149 .63661 .097 .0102 .0073 .0119 .0051 -.0044 -.0022 |
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AlZ .29832 .26167 .61132 .787 .0063 .0066 .0065 .0031 .0001 .0008 |
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MgZ .29832 .26167 .61132 .136 .0063 .0066 .0065 .0031 .0001 .0008 |
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FeZ .29832 .26167 .61132 .077 .0063 .0066 .0065 .0031 .0001 .0008 |
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SiT .19151 .18985 0 .0057 .0055 .0067 .0026 -.0003 -.0005 |
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B .11001 .22003 .45175 .0083 .0095 .0079 .0047 -.0003 -.0006 |
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O1 0 0 .7812 .0201 .0201 .0169 .01005 0 0 |
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O2 .0607 .1214 .4764 .0119 .0065 .0147 .0032 .0010 .0020 |
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O3 .2660 .1330 .5125 .0215 .0166 .0058 .0108 .0019 .0009 |
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O4 .0919 .1838 .0710 .0088 .0168 .0114 .0084 -.0006 -.0012 |
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O5 .1814 .0907 .0902 .0158 .0083 .0118 .0079 .0015 .0008 |
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O6 .1953 .1862 .7789 .0114 .0107 .0080 .0061 -.0007 -.0016 |
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O7 .2842 .2835 .0789 .0091 .0076 .0117 .0018 -.0029 -.0007 |
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O8 .2088 .2695 .4411 .0069 .0110 .0184 .0041 .0006 .0020 |
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H1 0 0 .725 .01 |
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H3 .258 .129 .412 .01 |
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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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Feruvite |
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Gadas P, Novak M, Cempirek J, Filip J, Galiova M V, Groat L A, Vsiansky D |
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The Canadian Mineralogist 52 (2014) 285-301 |
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Mineral assemblages, compositional variation, and crystal structure of feruvitic |
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tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, |
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Moldanubian zone, Czech Republic |
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Note: site occupancies from typical X-ray diffraction analysis |
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Locality: Mirosov, Moldanubian zone, Czech Republic |
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_database_code_amcsd 0020666 |
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16.0047 16.0047 7.2120 90 90 120 R3m |
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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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Ca 0 0 .21562 .424 .0147 .0121 .0121 .0201 .00603 0 0 |
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Na 0 0 .21562 .576 .0147 .0121 .0121 .0201 .00603 0 0 |
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FeY .121449 .060724 .63711 .735 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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MgY .121449 .060724 .63711 .265 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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AlZ .298212 .26149 .61103 .948 .00476 .00461 .00495 .00453 .00224 .00001 .00052 |
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FeZ .298212 .26149 .61103 .052 .00476 .00461 .00495 .00453 .00224 .00001 .00052 |
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Si .191762 .190127 0 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059 |
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B .11020 .22040 .4522 .0060 .0056 .0059 .0067 .0030 .0002 .0005 |
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O1 0 0 .7867 .0186 .0176 .0176 .0205 .0088 0 0 |
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O2 .06085 .12169 .4760 .0106 .0113 .0049 .0135 .00243 .00079 .0016 |
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O3 .26752 .13376 .51154 .01124 .0189 .0123 .0046 .0095 .0011 .00055 |
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O4 .09233 .18466 .07091 .00881 .0066 .0133 .0088 .0066 -.00043 -.0009 |
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O5 .18308 .09154 .09101 .00908 .0141 .0064 .0093 .0070 .0017 .00086 |
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O6 .19644 .18751 -.22206 .00735 .0085 .0083 .0050 .0040 -.0002 -.0011 |
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O7 .28480 .28448 .07979 .00767 .0067 .0057 .0082 .0013 -.0021 -.0013 |
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O8 .20935 .27013 .44104 .00898 .0040 .0089 .0137 .0030 .0010 .0023 |
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H3 .261 .1307 .390 .067 |
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H1 0 0 .898 .34 |
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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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Feruvite |
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Gadas P, Novak M, Cempirek J, Filip J, Galiova M V, Groat L A, Vsiansky D |
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The Canadian Mineralogist 52 (2014) 285-301 |
|
Mineral assemblages, compositional variation, and crystal structure of feruvitic |
|
tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, |
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Moldanubian zone, Czech Republic |
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Note: site occupancies from electron density approximation |
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Locality: Mirosov, Moldanubian zone, Czech Republic |
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_database_code_amcsd 0020667 |
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16.0047 16.0047 7.2120 90 90 120 R3m |
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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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Ca 0 0 .21562 .494 .0147 .0121 .0121 .0201 .00603 0 0 |
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Na 0 0 .21562 .451 .0147 .0121 .0121 .0201 .00603 0 0 |
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FeY .121449 .060724 .63711 .698 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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MgY .121449 .060724 .63711 .141 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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AlY .121449 .060724 .63711 .122 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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TiY .121449 .060724 .63711 .028 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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MnY .121449 .060724 .63711 .010 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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ZnY .121449 .060724 .63711 .002 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192 |
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AlZ .298212 .26149 .61103 .851 .00476 .00461 .00495 .00453 .00224 .00001 .00052 |
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FeZ .298212 .26149 .61103 .063 .00476 .00461 .00495 .00453 .00224 .00001 .00052 |
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MgZ .298212 .26149 .61103 .086 .00476 .00461 .00495 .00453 .00224 .00001 .00052 |
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SiT .191762 .190127 0 .980 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059 |
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AlT .191762 .190127 0 .020 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059 |
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B .11020 .22040 .4522 .0060 .0056 .0059 .0067 .0030 .0002 .0005 |
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O1 0 0 .7867 .985 .0186 .0176 .0176 .0205 .0088 0 0 |
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F1 0 0 .7867 .015 .0186 .0176 .0176 .0205 .0088 0 0 |
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O2 .06085 .12169 .4760 .0106 .0113 .0049 .0135 .00243 .00079 .0016 |
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O3 .26752 .13376 .51154 .985 .01124 .0189 .0123 .0046 .0095 .0011 .00055 |
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F3 .26752 .13376 .51154 .015 .01124 .0189 .0123 .0046 .0095 .0011 .00055 |
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O4 .09233 .18466 .07091 .00881 .0066 .0133 .0088 .0066 -.00043 -.0009 |
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O5 .18308 .09154 .09101 .00908 .0141 .0064 .0093 .0070 .0017 .00086 |
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O6 .19644 .18751 -.22206 .00735 .0085 .0083 .0050 .0040 -.0002 -.0011 |
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O7 .28480 .28448 .07979 .00767 .0067 .0057 .0082 .0013 -.0021 -.0013 |
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O8 .20935 .27013 .44104 .00898 .0040 .0089 .0137 .0030 .0010 .0023 |
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H3 .261 .1307 .390 .664 .067 |
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H1 0 0 .898 .664 .34 |
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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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Feruvite |
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Grice J D, Ercit T S |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
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Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
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Sample: Feruvite 53776 |
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Locality: Cuvier Island, New Zealand |
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_database_code_amcsd 0018788 |
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16.000 16.000 7.248 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .2222 .62 .0177 |
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NaX 0 0 .2222 .4 .0177 |
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Fe2Y .12298 .06149 .63661 .42 .0095 |
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MgY .12298 .06149 .63661 .4067 .0095 |
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AlY .12298 .06149 .63661 .0267 .0095 |
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Fe3Y .12298 .06149 .63661 .1467 .0095 |
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AlZ .29832 .26167 .6113 .7867 .0067 |
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MgZ .29832 .26167 .6113 .1367 .0067 |
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Fe3Z .29832 .26167 .6113 .0467 .0067 |
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TiZ .29832 .26167 .6113 .03 .0067 |
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SiT .19151 .18985 0 .9617 .0060 |
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BT .19151 .18985 0 .02 .0060 |
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TiT .19151 .18985 0 .0167 .0060 |
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B .1100 .2200 .4518 .0084 |
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O1 0 0 .7812 .0190 |
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O2 .0607 .1214 .4764 .0116 |
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O3 .2660 .1330 .5125 .0141 |
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O4 .0919 .1838 .0710 .0114 |
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O5 .1814 .0907 .0902 .0111 |
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O6 .1953 .1862 .7789 .0098 |
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O7 .2842 .2835 .0789 .0105 |
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O8 .2088 .2695 .4411 .0123 |
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H1 0 0 .725 .60 .01 |
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H3 .258 .129 .412 .01 |
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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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