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Pyrope |
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Novak G A, Meyer H O A |
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American Mineralogist 55 (1970) 2124-2127 |
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Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in |
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natural diamond |
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_database_code_amcsd 0000218 |
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11.526 11.526 11.526 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mgx 0 .25 .125 .875 .00095 .00134 .00134 0 0 .00033 |
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Fex 0 .25 .125 .089 .00095 .00134 .00134 0 0 .00033 |
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Cax 0 .25 .125 .030 .00095 .00134 .00134 0 0 .00033 |
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Mnx 0 .25 .125 .005 .00095 .00134 .00134 0 0 .00033 |
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Aly 0 0 0 .670 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
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Cry 0 0 0 .286 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
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Fey 0 0 0 .044 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
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Si 0 .25 .375 .996 .00068 .00068 .00055 0 0 0 |
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Al 0 .25 .375 .004 .00068 .00068 .00055 0 0 0 |
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O1 .03346 .0507 .65366 .00130 .00142 .00115 0.00006 -.00019 .00002 |
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Pyrope |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Py |
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Locality: synthetic |
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_database_code_amcsd 0000238 |
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11.459 11.459 11.459 90 90 90 Ia-3d |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00039 .00043 .00043 0 0 0 |
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Al 0 0 0 .00075 .00075 .00075 .00001 .00001 .00001 |
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Mg .125 0 .25 .00121 .00170 .00170 0 0 .00039 |
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O .03285 .05015 .65335 .00104 .00103 .00087 .00012 -.00005 -.00005 |
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Pyrope |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Cr-Py |
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Locality: inclusioin in a Venezuelan diamond |
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_database_code_amcsd 0000239 |
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11.526 11.526 11.526 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00068 .00055 .00055 0 0 0 |
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Al 0 0 0 .67 .00059 .00059 .00059 -.00003 -.00003 -.00003 |
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Cr 0 0 0 .33 .00059 .00059 .00059 -.00003 -.00003 -.00003 |
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Mg .125 0 .25 .88 .00096 .00134 .00134 0 0 .00033 |
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Fe .125 0 .25 .12 .00096 .00134 .00134 0 0 .00033 |
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O .03346 .0507 .65366 .0013 .00142 .00115 .00006 -.00019 .00003 |
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Almandine |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Al |
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Locality: Emerald creek in Latah Co, Idaho, USA |
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_database_code_amcsd 0000240 |
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11.531 11.531 11.531 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00040 .00026 .00026 0 0 0 |
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Al 0 0 0 .00052 .00052 .00052 .00009 .00009 .00009 |
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Fe .125 0 .25 .86 .00074 .00102 .00102 0 0 .00005 |
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Mg .125 0 .25 .09 .00074 .00102 .00102 0 0 .00005 |
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Ca .125 0 .25 .04 .00074 .00102 .00102 0 0 .00005 |
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O .03427 .0486 .65332 .00071 .00062 .00066 .00009 .00005 .00008 |
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Spessartine |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Sp |
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Locality: Minas Gerais, Brazil |
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_database_code_amcsd 0000241 |
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11.612 11.612 11.612 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00068 .00460 .00460 0 0 0 |
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Al 0 0 0 .00076 .00076 .00076 -.00003 -.00003 -.00003 |
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Mn .125 0 .25 .87 .00071 .00100 .00100 0 0 .00014 |
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Fe .125 0 .25 .13 .00071 .00100 .00100 0 0 .00014 |
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O .0351 .04766 .65261 .00075 .00088 .00056 .00013 -.00015 -.00002 |
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Grossular |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Mn-Gr |
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Locality: unknown |
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_database_code_amcsd 0000242 |
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11.690 11.690 11.690 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00118 .00530 .00530 0 0 0 |
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Al 0 0 0 .00112 .00112 .00112 -.00002 -.00002 -.00002 |
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Ca .125 0 .25 .45 .00121 .00165 .00165 0 0 .00009 |
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Fe .125 0 .25 .28 .00121 .00165 .00165 0 0 .00009 |
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Mn .125 0 .25 .27 .00121 .00165 .00165 0 0 .00009 |
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O .03577 .04633 .65177 .00165 .00149 .00194 .00003 .00003 -.00016 |
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Grossular |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-825 |
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The crystal chemistry of the silicate garnets |
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sample Gr |
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Locality: Asbestos, Quebec, Canada |
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_database_code_amcsd 0000243 |
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11.845 11.845 11.845 90 90 90 Ia-3d |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00111 .00079 .00079 0 0 0 |
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Al 0 0 0 .00116 .00116 .00116 -.00017 -.00017 -.00017 |
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Ca .125 0 .25 .00089 .00119 .00119 0 0 .00010 |
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O .03808 .04493 .6514 .00147 .00145 .00112 -.00004 .00008 .00002 |
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Uvarovite |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-823 |
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The crystal chemistry of the silicate garnets |
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sample Uv |
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Locality: Washington, Nevada Co, California, USA |
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_database_code_amcsd 0000244 |
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11.988 11.988 11.988 90 90 90 Ia-3d |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .253 |
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Cr 0 0 0 .865 .00046 .00046 .00046 -.00018 -.00018 -.00018 |
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Al 0 0 0 .105 .00046 .00046 .00046 -.00018 -.00018 -.00018 |
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Fe 0 0 0 .025 .00046 .00046 .00046 -.00018 -.00018 -.00018 |
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Ti 0 0 0 .005 .00046 .00046 .00046 -.00018 -.00018 -.00018 |
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Ca .125 0 .25 .997 .00049 .00074 .00074 0 0 .00015 |
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Mn .125 0 .25 .003 .00049 .00074 .00074 0 0 .00015 |
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O .03991 .04737 .65354 .00102 .00076 .00058 0.00002 -.00018 -.00009 |
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Goldmanite |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-823 |
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The crystal chemistry of the silicate garnets |
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sample Go |
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Locality: Laguna Uranium mining district, New Mexico, USA |
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_database_code_amcsd 0000245 |
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12.011 12.011 12.011 90 90 90 Ia-3d |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00076 .00071 .00071 0 0 0 |
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V 0 0 0 .60 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
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Al 0 0 0 .24 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
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Fe 0 0 0 .16 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
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Ca .125 0 .25 .97 .00095 .00122 .00122 0 0 .00014 |
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Mg .125 0 .25 .03 .00095 .00122 .00122 0 0 .00014 |
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O .0385 .04742 .65387 .00194 .00109 .00142 .00001 -.00029 .00002 |
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Andradite |
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Novak G A, Gibbs G V |
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American Mineralogist 56 (1971) 791-823 |
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The crystal chemistry of the silicate garnets |
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sample An |
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Locality: Valmalen, Italy |
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_database_code_amcsd 0000246 |
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12.058 12.058 12.058 90 90 90 Ia-3d |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .375 0 .25 .00069 .00107 .00107 0 0 0 |
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Fe 0 0 0 .00067 .00067 .00067 -.00006 -.00006 -.00006 |
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Ca .125 0 .25 .00690 .00092 .00092 0 0 .00005 |
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O .03986 .04885 .65555 .00102 .00115 .00071 .00016 -.00018 .00002 |
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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
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