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