Grossular
	Novak G A, Gibbs G V
	American Mineralogist 56 (1971) 791-825
	The crystal chemistry of the silicate garnets
	sample Mn-Gr
	Locality: unknown
	_database_code_amcsd 0000242
	11.690 11.690 11.690 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 .00118 .00530 .00530 0 0 0
	Al 0 0 0 .00112 .00112 .00112 -.00002 -.00002 -.00002
	Ca .125 0 .25 .45 .00121 .00165 .00165 0 0 .00009
	Fe .125 0 .25 .28 .00121 .00165 .00165 0 0 .00009
	Mn .125 0 .25 .27 .00121 .00165 .00165 0 0 .00009
	O .03577 .04633 .65177 .00165 .00149 .00194 .00003 .00003 -.00016
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	Grossular
	Novak G A, Gibbs G V
	American Mineralogist 56 (1971) 791-825
	The crystal chemistry of the silicate garnets
	sample Gr
	Locality: Asbestos, Quebec, Canada
	_database_code_amcsd 0000243
	11.845 11.845 11.845 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 .00111 .00079 .00079 0 0 0
	Al 0 0 0 .00116 .00116 .00116 -.00017 -.00017 -.00017
	Ca .125 0 .25 .00089 .00119 .00119 0 0 .00010
	O .03808 .04493 .6514 .00147 .00145 .00112 -.00004 .00008 .00002
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	Grossular
	Meagher E P
	American Mineralogist 60 (1975) 218-228
	The crystal structures of pyrope and grossularite at elevated temperatures
	T = 25 deg C
	garnet
	_database_code_amcsd 0000450
	11.846 11.846 11.846 90 90 90 Ia-3d
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .00073 .00068 .00068 0 0 .00006
	Al 0 0 0 .4
	Si 0 .25 .375 .00014 .00014 .00135 0 0 0
	O .038 .0447 .6512 .00077 .00032 .00089 -.00045 -.00035 .00009
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	Grossular
	Meagher E P
	American Mineralogist 60 (1975) 218-228
	The crystal structures of pyrope and grossularite at elevated temperatures
	T = 365 deg C
	garnet
	_database_code_amcsd 0000451
	11.880 11.880 11.880 90 90 90 Ia-3d
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .00056 .00203 .00203 0 0 .00016
	Al 0 0 0 .63
	Si 0 .25 .375 .00207 .00207 .00008 0 0 0
	O .0384 .0449 .6512 .00151 .00119 .00161 -.00017 -.00009 .00001
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	Grossular
	Meagher E P
	American Mineralogist 60 (1975) 218-228
	The crystal structures of pyrope and grossularite at elevated temperatures
	garnet
	T = 675 deg C
	_database_code_amcsd 0000452
	11.917 11.917 11.917 90 90 90 Ia-3d
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .125 0 .25 .00089 .00264 .00264 0 0 .000005
	Al 0 0 0 .94
	Si 0 .25 .375 .00209 .00209 .00110 0 0 0
	O .0381 .045 .6515 .00233 .00208 .00148 -.00008 .00002 .000210
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	Grossular
	Hazen R M, Finger L W
	American Mineralogist 63 (1978) 297-303
	Crystal structures and compressibilities of pyrope and grossular to 60 kbar
	P = 1 bar
	Locality: Georgetown, California, USA
	_database_code_amcsd 0000634
	11.864 11.864 11.864 90 90 90 Ia-3d
	atom x y z Biso
	Ca .125 0 .25 .33
	Al 0 0 0 .25
	Si .375 0 .25 .29
	O .038 .045 .6518 .35
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	Grossular
	Hazen R M, Finger L W
	American Mineralogist 63 (1978) 297-303
	Crystal structures and compressibilities of pyrope and grossular to 60 kbar
	P = 19 kbar
	Locality: Georgetown, California, USA
	_database_code_amcsd 0000635
	11.795 11.795 11.795 90 90 90 Ia-3d
	atom x y z Biso
	Ca .125 0 .25 .6
	Al 0 0 0 .45
	Si .375 0 .25 .3
	O .0372 .0458 .6516 .5
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	Grossular
	Hazen R M, Finger L W
	American Mineralogist 63 (1978) 297-303
	Crystal structures and compressibilities of pyrope and grossular to 60 kbar
	P = 35 kbar
	Locality: Georgetown, California, USA
	_database_code_amcsd 0000636
	11.760 11.760 11.760 90 90 90 Ia-3d
	atom x y z Biso
	Ca .125 0 .25 .7
	Al 0 0 0 .5
	Si .375 0 .25 .3
	O .0379 .0458 .6518 .5
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	Grossular
	Hazen R M, Finger L W
	American Mineralogist 63 (1978) 297-303
	Crystal structures and compressibilities of pyrope and grossular to 60 kbar
	P = 61 kbar
	Locality: Georgetown, California, USA
	_database_code_amcsd 0000637
	11.698 11.698 11.698 90 90 90 Ia-3d
	atom x y z Biso
	Ca .125 0 .25 .9
	Al 0 0 0 .5
	Si .375 0 .25 .4
	O .0359 .0414 .6496 .4
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	Grossular
	Lager G A, Rossman G R, Rotella F J, Schultz A J
	American Mineralogist 72 (1987) 766-768
	Neutron-diffraction structure of a low-water grossular at 20K
	_database_code_amcsd 0001109
	11.843 11.843 11.843 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)
	Ca .125 0 .25 .00001 .00020 .00020 0 0 .00001
	Al 0 0 0 .00009 .00009 .00009 -.00003 -.00003 -.00003
	Si .375 0 .25 .00001 .00005 .00005 0 0 0
	O .03817 .04559 .65141 .00027 .00024 .00014 .00002 -.00004 .00004
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	Grossular
	Allen F M, Buseck P R
	American Mineralogist 73 (1988) 568-584
	XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
	Sample: before heating
	Note: Data was obtained from the ICSD
	_database_code_amcsd 0001147
	11.845 11.858 11.846 90 90 90 I-1
	atom x y z occ Uiso
	Ca1 .1251 .0001 .2499 .84 .0079
	Fe1 .1251 .0001 .2499 .16 .0079
	Ca2 .625 0 .25 .8 .0079
	Fe2 .625 0 .25 .2 .0079
	Ca3 .0001 .25 .125 .9 .008
	Fe3 .0001 .25 .125 .1 .008
	Ca4 .5 .75 .125 .77 .0084
	Fe4 .5 .75 .125 .23 .0084
	Ca5 .25 .125 0 .77 .0081
	Fe5 .25 .125 0 .23 .0081
	Ca6 .25 .625 0 .87 .0078
	Fe6 .25 .625 0 .13 .0078
	Al1 0 0 0 .86 .0075
	Fe7 0 0 0 .14 .0075
	Al2 .5 0 0 .81 .0067
	Fe8 .5 0 0 .19 .0067
	Al3 .25 .25 .25 .0064
	Al4 .75 .25 .25 .85 .0067
	Fe9 .75 .25 .25 .15 .0067
	Al5 0 .5 0 .93 .007
	Fe10 0 .5 0 .07 .007
	Al6 .5 .5 0 .84 .0073
	Fe11 .5 .5 0 .16 .0073
	Al7 .25 .75 .25 .85 .007
	Fe12 .25 .75 .25 .15 .007
	Al8 .75 .75 .25 .88 .0061
	Fe13 .75 .75 .25 .12 .0061
	Si1 .375 .0001 .2502 .0063
	Si2 .8751 .0001 .2499 .0062
	Si3 .0001 .75 .1249 .0066
	Si4 .4999 .25 .125 .0066
	Si5 .2499 .3749 .0002 .0064
	Si6 .7503 .125 0 .0064
	O1 .5383 .5457 .1516 .0081
	O2 .0379 .4545 .1512 .0084
	O3 .9018 .2957 .2882 .0085
	O4 .4016 .7042 .2883 .0089
	O5 .6519 .0382 .046 .0083
	O6 .1512 .962 .0456 .0085
	O7 .7043 .7118 .0982 .0084
	O8 .2043 .288 .0987 .0085
	O9 .0457 .6516 .0382 .0087
	O10 .5458 .3485 .0383 .0084
	O11 .2121 .5984 .2042 .0077
	O12 .7116 .4016 .2041 .0086
	O13 .538 .4543 .3486 .0085
	O14 .0381 .5457 .3481 .0083
	O15 .0988 .2042 .2883 .0082
	O16 .5982 .7958 .2882 .0086
	O17 .8486 .5386 .0457 .0086
	O18 .3483 .4618 .0461 .0087
	O19 .2957 .7888 .0984 .0086
	O20 .796 .2116 .0982 .0087
	O21 .4539 .152 .0385 .0087
	O22 .9542 .8486 .0385 .0084
	O23 .712 .5981 .2961 .0086
	O24 .2117 .4015 .2954 .0087
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	Grossular
	Allen F M, Buseck P R
	American Mineralogist 73 (1988) 568-584
	XRD, FTIR, and TEM studies of optically anisotropic grossular garnets
	Sample: after heating
	Note: Data was obtained from the ICSD
	_database_code_amcsd 0001148
	11.837 11.840 11.836 90.01 89.98 90 I-1
	atom x y z occ Uiso
	Ca1 .125 0 .25 .85 .0076
	Fe1 .125 0 .25 .15 .0076
	Ca2 .6249 0 .25 .86 .0075
	Fe2 .6249 0 .25 .14 .0075
	Ca3 .0001 .2499 .1251 .84 .0076
	Fe3 .0001 .2499 .1251 .16 .0076
	Ca4 .5 .75 .1251 .81 .0078
	Fe4 .5 .75 .1251 .19 .0078
	Ca5 .25 .125 .0001 .78 .0078
	Fe5 .25 .125 .0001 .22 .0078
	Ca6 .25 .625 .0001 .81 .0076
	Fe6 .25 .625 .0001 .19 .0076
	Al1 0 0 0 .88 .0064
	Fe7 0 0 0 .12 .0064
	Al2 .5 0 0 .87 .0067
	Fe8 .5 0 0 .13 .0067
	Al3 .25 .25 .25 .9 .0061
	Fe9 .25 .25 .25 .1 .0061
	Al4 .75 .25 .25 .91 .0061
	Fe10 .75 .25 .25 .09 .0061
	Al5 0 .5 0 .87 .0068
	Fe11 0 .5 0 .13 .0068
	Al6 .5 .5 0 .9 .006
	Fe12 .5 .5 0 .1 .006
	Al7 .25 .75 .25 .89 .0061
	Fe13 .25 .75 .25 .11 .0061
	Al8 .75 .75 .25 .9 .0057
	Fe14 .75 .75 .25 .1 .0057
	Si1 .3751 0 .25 .006
	Si2 .8751 0 .2501 .006
	Si3 .0001 .7499 .1251 .006
	Si4 .5001 .2499 .1251 .006
	Si5 .25 .3751 -.0001 .0058
	Si6 .7501 .125 .0001 .0058
	O1 .5384 .5457 .1516 .0078
	O2 .0382 .4544 .1515 .0075
	O3 .9017 .2957 .2878 .0079
	O4 .4017 .7042 .2883 .0081
	O5 .6516 .0382 .0457 .0077
	O6 .1516 .9619 .0461 .0081
	O7 .7041 .7119 .0981 .0081
	O8 .2042 .2882 .0982 .0083
	O9 .0458 .6515 .0384 .0079
	O10 .546 .3484 .0383 .0076
	O11 .2118 .5985 .2041 .0076
	O12 .7116 .4014 .2041 .0078
	O13 .5382 .4541 .3482 .0082
	O14 .038 .5458 .3483 .008
	O15 .0983 .2043 .2879 .0082
	O16 .5983 .7958 .2878 .008
	O17 .8483 .5383 .0454 .0082
	O18 .3481 .4618 .0456 .008
	O19 .2957 .7883 .0984 .0084
	O20 .7958 .2118 .0983 .0079
	O21 .4542 .1515 .0381 .0081
	O22 .9542 .8484 .038 .008
	O23 .7115 .5984 .2958 .0074
	O24 .2119 .4016 .2959 .0078
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	Grossular
	Ganguly J, Cheng W, O'Neill H St C
	American Mineralogist 78 (1993) 583-593
	Syntheses, volume, and structural changes of garnets in the pyrope-grossular
	join: Implications for stability and mixing properties
	Sample JW22
	_database_code_amcsd 0001567
	11.7445 11.7445 11.7445 90 90 90 Ia-3d
	atom x y z occ Biso
	Si .375 0 .25 .323
	Al 0 0 0 .297
	Mg .125 0 .25 .296 .486
	Ca .125 0 .25 .702 .486
	O .0359 .0463 .6518 .216
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	Grossular
	Ganguly J, Cheng W, O'Neill H St C
	American Mineralogist 78 (1993) 583-593
	Syntheses, volume, and structural changes of garnets in the pyrope-grossular
	join: Implications for stability and mixing properties
	Sample JW3
	_database_code_amcsd 0001568
	11.7817 11.7817 11.7817 90 90 90 Ia-3d
	atom x y z occ Biso
	Si .375 0 .25 .383
	Al 0 0 0 .276
	Mg .125 0 .25 .203 .423
	Ca .125 0 .25 .797 .423
	O .0367 .0460 .6514 .245
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	Grossular
	Ganguly J, Cheng W, O'Neill H St C
	American Mineralogist 78 (1993) 583-593
	Syntheses, volume, and structural changes of garnets in the pyrope-grossular
	join: Implications for stability and mixing properties
	Sample JW15
	_database_code_amcsd 0001569
	11.8063 11.8063 11.8063 90 90 90 Ia-3d
	atom x y z occ Biso
	Si .375 0 .25 .344
	Al 0 0 0 .222
	Mg .125 0 .25 .151 .345
	Ca .125 0 .25 .849 .345
	O .0368 .0454 .6515 .191
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	Grossular
	Ganguly J, Cheng W, O'Neill H St C
	American Mineralogist 78 (1993) 583-593
	Syntheses, volume, and structural changes of garnets in the pyrope-grossular
	join: Implications for stability and mixing properties
	Sample JW11
	_database_code_amcsd 0001570
	11.8515 11.8515 11.8515 90 90 90 Ia-3d
	atom x y z Biso
	Si .375 0 .25 .265
	Al 0 0 0 .233
	Ca .125 0 .25 .323
	O .0376 .0454 .6513 .189
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 100 K
	_database_code_amcsd 0001923
	11.837 11.837 11.837 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .00296 .00296 .0021 .0003 0 0
	AlY 0 0 0 .00246 .00246 .00246 -.0000 -.0000 -.0000
	Si 3/8 0 .25 .0022 .0022 .0022 0 0 0
	O .03823 .04542 .65125 .0034 .0040 .0026 .0000 -.0005 .0011
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 293 K
	_database_code_amcsd 0001924
	11.847 11.847 11.847 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .0064 .0064 .0042 .0010 0 0
	AlY 0 0 0 .0046 .0046 .0046 -.0001 -.0001 -.0001
	Si 3/8 0 .25 .0040 .0040 .0040 0 0 0
	O .03823 .04528 .65137 .0049 .0063 .0044 .0002 -.0005 .0004
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 550 K
	_database_code_amcsd 0001925
	11.872 11.872 11.872 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .0104 .0104 .0062 .0020 0 0
	AlY 0 0 0 .0067 .0067 .0067 -.0001 -.0001 -.0001
	Si 3/8 0 .25 .0051 .0055 .0055 0 0 0
	O .03839 .04483 .65142 .0077 .0095 .0066 .0009 -.0009 .0002
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 100 K
	_database_code_amcsd 0001926
	11.606 11.606 11.606 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .00345 .00345 .0019 .00058 0 0
	AlY 0 0 0 .0023 .0023 .0023 .0002 .0002 .0002
	Si 3/8 0 .25 .0017 .0020 .0020 0 0 0
	O .03493 .04816 .65246 .0031 .0038 .0023 .0005 -.0006 -.0002
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 293 K
	_database_code_amcsd 0001927
	11.619 11.619 11.619 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .0076 .0076 .0033 .0026 0 0
	AlY 0 0 0 .0032 .0032 .0032 .0000 .0000 .0000
	Si 3/8 0 .25 .0023 .0029 .0029 0 0 0
	O .03491 .04791 .65250 .0044 .0055 .0036 .0010 -.0010 .0001
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	Grossular
	Geiger C A, Armbruster T
	American Mineralogist 82 (1997) 740-747
	Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics
	and thermodynamic properties
	Sample: at T = 500 K
	_database_code_amcsd 0001928
	11.641 11.641 11.641 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX 0 .25 .125 .0134 .0134 .0059 .0029 0 0
	AlY 0 0 0 .0053 .0053 .0053 -.0000 -.0000 -.0000
	Si 3/8 0 .25 .0041 .0048 .0048 0 0 0
	O .03508 .04744 .65237 .0072 .0094 .0055 .0008 -.0015 .0001
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 103 K
	_database_code_amcsd 0002766
	11.840 11.840 11.840 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .03816 .04558 .65135 .0033 .0043 .0027 .0001 -.0005 -.0002
	Ca 0 .25 1/8 .0032 .0032 .0022 .0005 0 0
	Al 0 0 0 .0025 .0025 .0025 -.0002 -.0002 -.0002
	Si 3/8 0 .25 .0026 .0024 .0024 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 156 K
	_database_code_amcsd 0002767
	11.842 11.842 11.842 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .03835 .04525 .65131 .0036 .0038 .0033 -.0001 -.0002 -.0001
	Ca 0 .25 1/8 .0036 .0036 .0026 .0006 0 0
	Al 0 0 0 .0028 .0028 .0028 .0001 .0001 .0001
	Si 3/8 0 .25 .0026 .0024 .0024 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 205 K
	_database_code_amcsd 0002768
	11.844 11.844 11.844 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .03820 .04530 .65146 .0040 .0049 .0037 .0001 -.0003 .0004
	Ca 0 .25 1/8 .0043 .0043 .0029 .0005 0 0
	Al 0 0 0 .0032 .0032 .0032 -.0001 -.0001 -.0001
	Si 3/8 0 .25 .0031 .0027 .0027 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 261 K
	_database_code_amcsd 0002769
	11.847 11.847 11.847 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .0382 .0453 .65154 .0043 .0052 .0040 .0001 -.0001 .0005
	Ca 0 .25 1/8 .0051 .0051 .0031 .001 0 0
	Al 0 0 0 .0037 .0037 .0037 .0002 .0002 .0002
	Si 3/8 0 .25 .0034 .0030 .0030 0 0 0
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 273 K
	_database_code_amcsd 0002770
	11.849 11.849 11.849 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .0382 .0453 .65139 .0047 .0056 .0038 .0000 -.0005 .0003
	Ca 0 .25 1/8 .0055 .0055 .0034 .0007 0 0
	Al 0 0 0 .0039 .0039 .0039 -.0001 -.0001 -.0001
	Si 3/8 0 .25 .0036 .0031 .0031 0 0 0
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 298 K
	_database_code_amcsd 0002771
	11.850 11.850 11.850 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .0383 .0454 .65151 .0045 .0053 .0047 .0005 -.0003 .0001
	Ca 0 .25 1/8 .0058 .0058 .0036 .0007 0 0
	Al 0 0 0 .0040 .0040 .0040 -.0002 -.0002 -.0002
	Si 3/8 0 .25 .0044 .0043 .0043 0 0 0
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 348 K
	_database_code_amcsd 0002772
	11.853 11.853 11.853 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .0382 .0451 .65145 .0054 .0058 .0046 .0003 -.0006 .0003
	Ca 0 .25 1/8 .0065 .0065 .0039 .0011 0 0
	Al 0 0 0 .0044 .0044 .0044 .0003 .0003 .0003
	Si 3/8 0 .25 .0037 .0032 .0032 0 0 0
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 398 K
	_database_code_amcsd 0002773
	11.855 11.855 11.855 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .03827 .04512 .65158 .0068 .0070 .0057 .0006 -.0006 .0004
	Ca 0 .25 1/8 .0082 .0082 .0051 .0012 0 0
	Al 0 0 0 .0058 .0058 .0058 -.0002 -.0002 -.0002
	Si 3/8 0 .25 .0049 .0048 .0048 0 0 0
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	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 448 K
	_database_code_amcsd 0002774
	11.860 11.860 11.860 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .0383 .0451 .65142 .0083 .0083 .0056 .0000 -.0006 .0003
	Ca 0 .25 1/8 .0093 .0093 .0057 .0016 0 0
	Al 0 0 0 .0061 .0061 .0061 -.0000 -.0000 -.0000
	Si 3/8 0 .25 .0056 .0054 .0054 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Rodehorst U, Geiger C A, Armbruster T
	American Mineralogist 87 (2002) 542-549
	The crystal structures of grossular and spessartine between 100 and 600 K
	and the crystal chemistry of grossular-spessartine solid solutions
	Sample: T = 498 K
	_database_code_amcsd 0002775
	11.867 11.867 11.867 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	O .03831 .0451 .65146 .0070 .0090 .0059 .0009 -.0006 .0007
	Ca 0 .25 1/8 .0095 .0095 .0055 .0019 0 0
	Al 0 0 0 .0059 .0059 .0059 -.0004 -.0004 -.0004
	Si 3/8 0 .25 .0051 .0048 .0048 0 0 0
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	Grossular
	Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
	Eeckhout S G
	American Mineralogist 91 (2006) 1230-1239
	Site preference and local geometry of Sc in garnets: Part I.
	Multifarious mechanisms in the pyrope-grossular join
	Locality: synthetic
	Sample: prp
	_database_code_amcsd 0004181
	11.8830 11.8830 11.8830 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .95 .51 .00064 .00104 .00104 0 0 .00023
	ScX .125 0 .25 .05 .51 .00064 .00104 .00104 0 0 .00023
	AlY 0 0 0 .93 .44 .00079 .00079 .00079 .00003 .00003 .00003
	ScY 0 0 0 .07 .44 .00079 .00079 .00079 .00003 .00003 .00003
	SiT .375 0 .25 .95 .61 .00096 .00115 .00115 0 0 0
	ScT .375 0 .25 .05 .61 .00096 .00115 .00115 0 0 0
	O .03803 .04587 .65194 .52 .00095 .00101 .00081 .00017 .00002 .00003
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	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 1, Quebec-b phase-1
	Locality: Jeffrey mine, Asbestos, Canada
	_database_code_amcsd 0020173
	11.85140 11.85140 11.85140 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .974 .00471
	MnX 0 .25 .125 .016 .00471
	FeX 0 .25 .125 .002 .00471
	MgX 0 .25 .125 .001 .00471
	AlY 0 0 0 .954 .00346
	FeY 0 0 0 .047 .00346
	TiY 0 0 0 .010 .00346
	SiZ .375 0 .25 .985 .00230
	AlZ .375 0 .25 .015 .00230
	O .03786 .04563 .65139 .0081
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 1, Quebec-b phase-2
	Locality: Jeffrey mine, Asbestos, Canada
	_database_code_amcsd 0020174
	11.84360 11.84360 11.84360 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .974 .00471
	MnX 0 .25 .125 .016 .00471
	FeX 0 .25 .125 .002 .00471
	MgX 0 .25 .125 .001 .00471
	AlY 0 0 0 .954 .00346
	FeY 0 0 0 .047 .00346
	TiY 0 0 0 .010 .00346
	SiZ .375 0 .25 .985 .00230
	AlZ .375 0 .25 .015 .00230
	O .0390 .0441 .6497 .0081
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 2, Quebec-g phase-1
	Locality: Jeffrey mine, Asbestos, Canada
	_database_code_amcsd 0020175
	11.87707 11.87707 11.87707 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .998 .00432
	MgX 0 .25 .125 .001 .00432
	AlY 0 0 0 .826 .00317
	CrY 0 0 0 .108 .00317
	TiY 0 0 0 .027 .00317
	FeY 0 0 0 .023 .00317
	MnY 0 0 0 .018 .00317
	SiZ .375 0 .25 .981 .0030
	AlZ .375 0 .25 .019 .0030
	O .03806 .04596 .65178 .0083
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 2, Quebec-g phase-2
	Locality: Jeffrey mine, Asbestos, Canada
	_database_code_amcsd 0020176
	11.86193 11.86193 11.86193 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .998 .00432
	MgX 0 .25 .125 .001 .00432
	AlY 0 0 0 .826 .00317
	CrY 0 0 0 .108 .00317
	TiY 0 0 0 .027 .00317
	FeY 0 0 0 .023 .00317
	MnY 0 0 0 .018 .00317
	SiZ .375 0 .25 .981 .00304
	AlZ .375 0 .25 .019 .00304
	O .03799 .04502 .65069 .0083
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 3, Tanzania phase-1
	Locality: Tanzania
	_database_code_amcsd 0020177
	11.94161 11.94161 11.94161 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .985 .00535
	MgX 0 .25 .125 .012 .00535
	MnX 0 .25 .125 .003 .00535
	AlY 0 0 0 .520 .00408
	FeY 0 0 0 .432 .00408
	TiY 0 0 0 .035 .00408
	MnY 0 0 0 .007 .00408
	MgY 0 0 0 .006 .00408
	SiZ .375 0 .25 .980 .00446
	AlZ .375 0 .25 .020 .00446
	O .03872 .04645 .65326 .0104
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 3, Tanzania phase-2
	Locality: Tanzania
	_database_code_amcsd 0020178
	11.95012 11.95012 11.95012 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .985 .00535
	MgX 0 .25 .125 .012 .00535
	MnX 0 .25 .125 .003 .00535
	AlY 0 0 0 .520 .00408
	FeY 0 0 0 .432 .00408
	TiY 0 0 0 .035 .00408
	MnY 0 0 0 .007 .00408
	MgY 0 0 0 .006 .00408
	SiZ .375 0 .25 .980 .00446
	AlZ .375 0 .25 .020 .00446
	O .0387 .0467 .6532 .0104
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Antao S M
	The Canadian Mineralogist 51 (2013) 771-784
	Is near-endmember birefringent grossular non-cubic?
	New evidence from synchrotron diffraction
	Note: sample 4, Afghanistan single-phase
	Locality: Laghman, Afghanistan
	_database_code_amcsd 0020179
	11.85584 11.85584 11.85584 90 90 90 Ia-3d
	atom x y z occ Uiso
	CaX 0 .25 .125 .988 .00507
	MnX 0 .25 .125 .004 .00507
	FeX 0 .25 .125 .004 .00507
	MgX 0 .25 .125 .004 .00507
	AlY 0 0 0 .925 .00347
	FeY 0 0 0 .052 .00347
	TiY 0 0 0 .004 .00347
	SiZ .375 0 .25 .991 .00291
	AlZ .375 0 .25 .009 .00291
	O .03846 .04569 .65137 .0081
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	Grossular
	Arni R, Langer K, Tillmanns E
	Physics and Chemistry of Minerals 12 (1985) 279-282
	Mn3+ in garnets III. Absence of Jahn-Teller distortion
	in synthetic Mn3+ -bearing garnet
	_database_code_amcsd 0007369
	11.867 11.867 11.867 90 90 90 Ia3d
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CaX .125 0 .25 .81 .0051 .0091 .0091 0 0 .0030
	MnX .125 0 .25 .19 .0051 .0091 .0091 0 0 .0030
	AlY 0 0 0 .64 .0047 .0047 .0047 .0001 .0001 .0001
	MnY 0 0 0 .36 .0047 .0047 .0047 .0001 .0001 .0001
	Si .375 0 .25 .0082 .0073 .0073 0 0 0
	O .0374 .0470 .6532 .009 .008 .009 .0010 .0005 .0001
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	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample VOL
	Locality: Voltri, Liguria, Italy
	_database_code_amcsd 0007905
	11.787 11.787 11.787 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .713 .60 .0007 .0013 .0013 0 0 .0000
	Fe2+X .125 0 .25 .243 .60 .0007 .0013 .0013 0 0 .0000
	Mn2+X .125 0 .25 .013 .60 .0007 .0013 .0013 0 0 .0000
	MgX .125 0 .25 .030 .60 .0007 .0013 .0013 0 0 .0000
	AlY 0 0 0 .935 .45 .0008 .0008 .0008 .0000 .0000 .0000
	Fe3+Y 0 0 0 .060 .45 .0008 .0008 .0008 .0000 .0000 .0000
	TiY 0 0 0 .005 .45 .0008 .0008 .0008 .0000 .0000 .0000
	SiZ .375 0 .25 .34 .0008 .0005 .0005 0 0 0
	O .0372 .0462 .6521 .52 .0012 .0009 .0007 .0001 -.0001 .0001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample BRIC
	Locality: Bric Canizzi, Liguria, Italy
	_database_code_amcsd 0007906
	11.967 11.967 11.967 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .963 .48 .0006 .0010 .0010 0 0 .0000
	Fe2+X .125 0 .25 .023 .48 .0006 .0010 .0010 0 0 .0000
	Mn2+X .125 0 .25 .013 .48 .0006 .0010 .0010 0 0 .0000
	AlY 0 0 0 .500 .39 .0007 .0007 .0007 .0000 .0000 .0000
	Fe3+Y 0 0 0 .380 .39 .0007 .0007 .0007 .0000 .0000 .0000
	Fe2+Y 0 0 0 .060 .39 .0007 .0007 .0007 .0000 .0000 .0000
	TiY 0 0 0 .060 .39 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .34 .0005 .0006 .0006 0 0 0
	O .0387 .0469 .6532 .51 .0009 .0009 .0008 -.0003 .0001 .0001
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	Grossular
	Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L
	Physics and Chemistry of Minerals 22 (1995) 159-169
	Local structural environment of calcium in garnets:
	A combined structure-refinement and XANES investigation
	Note: sample GRO
	Locality: Val di Fassa, Italy
	_database_code_amcsd 0007907
	11.871 11.871 11.871 90 90 90 Ia-3d
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	CaX .125 0 .25 .967 .47 .0006 .0009 .0009 0 0 .0000
	Fe2+X .125 0 .25 .010 .47 .0006 .0009 .0009 0 0 .0000
	Mn2+X .125 0 .25 .003 .47 .0006 .0009 .0009 0 0 .0000
	MgX .125 0 .25 .020 .47 .0006 .0009 .0009 0 0 .0000
	AlY 0 0 0 .905 .38 .0007 .0007 .0007 .0000 .0000 .0000
	Fe3+Y 0 0 0 .095 .38 .0007 .0007 .0007 .0000 .0000 .0000
	TiY 0 0 0 .005 .38 .0007 .0007 .0007 .0000 .0000 .0000
	SiZ .375 0 .25 .33 .0005 .0006 .0006 0 0 0
	O .0384 .0457 .6518 .44 .0008 .0009 .0007 .0003 -.0001 .0001
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	Grossular
	Resende J A L C, Fernandes N G