American Mineralogist Crystal Structure Database

46 matching records for this search.

Grossular
Download hom/grossular.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
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
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
Download hom/grossular.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
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
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
Download hom/grossular.pdf
Meagher E P
Download am/vol60/AM60_218.pdf
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
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
Download hom/grossular.pdf
Meagher E P
Download am/vol60/AM60_218.pdf
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
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
Download hom/grossular.pdf
Meagher E P
Download am/vol60/AM60_218.pdf
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
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
Download hom/grossular.pdf
Hazen R M, Finger L W
Download am/vol63/AM63_297.pdf
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
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
Download hom/grossular.pdf
Hazen R M, Finger L W
Download am/vol63/AM63_297.pdf
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
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
Download hom/grossular.pdf
Hazen R M, Finger L W
Download am/vol63/AM63_297.pdf
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
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
Download hom/grossular.pdf
Hazen R M, Finger L W
Download am/vol63/AM63_297.pdf
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
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
Download hom/grossular.pdf
Lager G A, Rossman G R, Rotella F J, Schultz A J
Download am/vol72/AM72_766.pdf
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
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
Download hom/grossular.pdf
Allen F M, Buseck P R
Download am/vol73/AM73_568.pdf
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
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
Download hom/grossular.pdf
Allen F M, Buseck P R
Download am/vol73/AM73_568.pdf
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
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
Download hom/grossular.pdf
Ganguly J, Cheng W, O'Neill H St C
Download am/vol78/AM78_583.pdf
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
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
Download hom/grossular.pdf
Ganguly J, Cheng W, O'Neill H St C
Download am/vol78/AM78_583.pdf
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
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
Download hom/grossular.pdf
Ganguly J, Cheng W, O'Neill H St C
Download am/vol78/AM78_583.pdf
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
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
Download hom/grossular.pdf
Ganguly J, Cheng W, O'Neill H St C
Download am/vol78/AM78_583.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
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
Download hom/grossular.pdf
Geiger C A, Armbruster T
Download am/vol82/AM82_740.pdf
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
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
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Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
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Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
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Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
Download AMC data (View Text File)
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Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Grossular
Download hom/grossular.pdf
Rodehorst U, Geiger C A, Armbruster T
Download am/vol87/AM87_542.pdf
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
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Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M,
Eeckhout S G
Download am/vol91/AM91_1230.pdf
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
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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Grossular
Download hom/grossular.pdf
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
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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
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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
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Grossular
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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
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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
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Resende J A L C, Fernandes N G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=265
Acta Crystallographica E61 (2005) i265-i267
X-ray powder refinement of a natural garnet from Diamantina, Minas Gerais, Brazil
Locality: Diamantina, Minas Gerais, Brazil
_database_code_amcsd 0010465
11.9220 11.9220 11.9220 90 90 90 Ia3d
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .125      0    .25      .00837  .0047  .0102  .0102      0      0  .0002
Al        0      0      0 .669 .00682  .0068  .0068  .0068  .0007  .0007  .0007
Fe        0      0      0 .331 .00682  .0068  .0068  .0068  .0007  .0007  .0007
Si     .375      0    .25      .01133  .0098  .0121  .0121      0      0      0
O    .09665 .20236 .28915      .01108  .0074  .0116  .0143  .0003 -.0062  .0045
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Grossular
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Menzer G
 
Zeitschrift fur Kristallographie 63 (1926) 157-158
Die Kristallstruktur von Granat.
_cod_database_code 1011055
_database_code_amcsd 0017956
11.82 11.82 11.82 90 90 90 Ia3d
atom    x    y    z
Ca1     0  .25 .125
Al1     0    0    0
Si1     0  .25 .375
O1   .035 .055 .650
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