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Garnet |
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Fujino K, Momoi H, Sawamoto H, Kumazawa M |
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American Mineralogist 71 (1986) 781-785 |
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Crystal structure and chemistry of MnSiO3 tetragonal garnet |
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_database_code_amcsd 0001021 |
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11.774 11.774 11.636 90 90 90 *I4_1/a |
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.5 .25 .125 |
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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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MnD1 .1258 .0079 .2590 .00069 .00098 .00146 -.00001 .00016 00017 |
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MnD2 0 .25 .6235 .00133 .00107 .00074 -.00020 0 0 |
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MnOc1 0 0 .5 .98 .00073 .00083 .00070 -.00006 -.00007 .00019 |
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SiOc1 0 0 .5 .02 .00073 .00083 .00070 -.00006 -.00007 -.00019 |
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SiOc2 0 0 0 .98 .00044 .00076 .00102 -.00002 .00006 -.00005 |
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MnOc2 0 0 0 .02 .00044 .00076 .00102 -.00002 .00006 -.00005 |
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SiT1 0 .25 .375 .00102 .00102 .00057 0 0 0 |
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SiT2 0 .25 .875 .00070 .00070 .00022 0 0 0 |
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SiT3 .1262 .0143 .7597 .00060 .00063 .00063 .00008 .00006 -.00022 |
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O1 .0302 .0617 .6730 .00101 .00096 .00060 .00004 -.00026 -.00009 |
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O2 .0465 -.0411 .8627 .00090 .00076 .00062 .00011 .00017 -.00022 |
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O3 .2224 .1099 .8064 .00087 .00070 .00115 .00000 .00002 -.00004 |
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O4 .2098 -.0796 .7039 .00093 .00077 .00102 -.00022 .00022 -.00022 |
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O5 -.0649 .1665 .4654 .00088 .00130 .00045 -.00030 .00036 .00005 |
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O6 -.1034 .2152 .7858 .00055 .00087 .00090 .00020 .00003 .00022 |
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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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Garnet |
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Griffen D T, Hatch D M, Phillips W R, Kulaksiz S |
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American Mineralogist 77 (1992) 399-406 |
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Crystal chemistry and symmetry of a birefringent tetragonal |
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pyralspite75-grandite25 garnet |
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_database_code_amcsd 0001447 |
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11.6207 11.6207 11.6230 90 90 90 *I4_1/acd |
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.5 .25 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .1249 0 .25 .63 0.0076 0.0134 0.0130 0 0 0.0012 |
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Ca1 .1249 0 .25 .25 0.0076 0.0134 0.0130 0 0 0.0012 |
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Mg1 .1249 0 .25 .08 0.0076 0.0134 0.0130 0 0 0.0012 |
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Mn1 .1249 0 .25 .03 0.0076 0.0134 0.0130 0 0 0.0012 |
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Fe2 0 .25 .125 .63 0.0128 0.0128 0.0068 0.0016 0 0 |
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Ca2 0 .25 .125 .25 0.0128 0.0128 0.0068 0.0016 0 0 |
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Mg2 0 .25 .125 .08 0.0128 0.0128 0.0068 0.0016 0 0 |
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Mn2 0 .25 .125 .03 0.0128 0.0128 0.0068 0.0016 0 0 |
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AlY 0 0 0 0.0081 0.0084 0.0083 0.0001 -.0006 -.0005 |
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Si1 .3749 0 .25 0.0106 0.0091 0.0089 0 0 -.0001 |
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Si3 0 .25 .375 0.0086 0.0086 0.0111 0 0 0 |
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O1 .2848 .0973 .2025 0.0126 0.0126 0.0116 0.0009 -.0020 0.0001 |
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O2 .0977 .2024 .2851 0.0114 0.0114 0.0133 0.0010 0.0002 -.0009 |
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O3 .2024 .2847 .0976 0.0136 0.0118 0.0113 -.0005 0.0007 0.0001 |
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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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Garnet |
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Ross C R, Keppler H, Canil D, O'Neill H St C |
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American Mineralogist 81 (1996) 61-66 |
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Structure and crystal-field spectra of Co3Al2(SiO4)3 and (Mg,Ni)3Al2(SiO4)3 |
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garnet |
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Co3Al2(SiO4)3 |
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_database_code_amcsd 0001771 |
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11.4597 11.4597 11.4597 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 .00037 .00044 .00044 0 0 0 |
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Al 0 0 0 .00045 .00045 .00045 .00001 .00001 .00001 |
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Co .125 0 .25 .00056 .00145 .00145 0 0 .00077 |
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O .0336 .0512 .6529 .00071 .00088 .00051 .00036 -.00031 -.00008 |
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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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Garnet |
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Ross C R, Keppler H, Canil D, O'Neill H St C |
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American Mineralogist 81 (1996) 61-66 |
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Structure and crystal-field spectra of Co3Al2(SiO4)3 and (Mg,Ni)3Al2(SiO4)3 |
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garnet |
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(Mg,Ni)3Al2(SiO4)3 |
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_database_code_amcsd 0001772 |
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11.4717 11.4717 11.4717 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 .00060 .00068 .00068 0 0 0 |
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Al 0 0 0 .00061 .00061 .00061 -.00001 -.00001 -.00001 |
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Mg .125 -.0081 .2419 .425 .00113 .00309 .00309 .00070 .00070 .00371 |
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Ni .125 -.0081 .2419 .075 .00113 .00309 .00309 .00070 .00070 .00371 |
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O .0328 .0493 .6533 .00095 .00120 .00082 .00036 .00040 -.00011 |
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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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