Spessartine
Novak G A, Gibbs G V
American Mineralogist 56 (1971) 791-825
The crystal chemistry of the silicate garnets
sample Sp
Locality: Minas Gerais, Brazil
_database_code_amcsd 0000241
11.612 11.612 11.612 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 .00068 .00460 .00460 0 0 0
Al 0 0 0 .00076 .00076 .00076 -.00003 -.00003 -.00003
Mn .125 0 .25 .87 .00071 .00100 .00100 0 0 .00014
Fe .125 0 .25 .13 .00071 .00100 .00100 0 0 .00014
O .0351 .04766 .65261 .00075 .00088 .00056 .00013 -.00015 -.00002
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Spessartine
Smyth J R, Madel R E, McCormick T C, Munoz J L, Rossman G R
American Mineralogist 75 (1990) 314-318
Crystal-structure refinement of a F-bearing spessartine garnet
_database_code_amcsd 0001299
11.628 11.628 11.628 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)
Mn .125 0 .25 .89 .00066 .00124 .00124 0 0 .00022
Fe .125 0 .25 .09 .00066 .00124 .00124 0 0 .00022
Ca .125 0 .25 .02 .00066 .00124 .00124 0 0 .00022
Al 0 0 0 .94 .00076 .00076 .00076 -.000076 -.000076 -.000076
Fe 0 0 0 .06 .00076 .00076 .00076 -.000076 -.000076 -.000076
Si .375 0 .25 .90 .00083 .00061 .00061 0 0 0
Al .375 0 .25 .05 .00083 .00061 .00061 0 0 0
O .0336 .0481 .6520 .89 .00132 .00114 .00096 -.00002 -.00004 -.00014
F .0336 .0481 .6520 .08 .00132 .00114 .00096 -.00002 -.00004 -.00014
OH .0336 .0481 .6520 .03 .00132 .00114 .00096 -.00002 -.00004 -.00014
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Spessartine
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 0002776
11.604 11.604 11.604 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 .03492 .04798 .65236 .0037 .0037 .0028 .0002 -.0007 .0002
Mn 0 .25 1/8 .0039 .0039 .0023 .0006 0 0
Al 0 0 0 .0024 .0024 .0024 .0001 .0001 .0001
Si 3/8 0 .25 .0024 .0021 .0021 0 0 0
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Spessartine
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 0002777
11.608 11.608 11.608 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 .03498 .04795 .65234 .0037 .0044 .0033 .0001 -.0004 .0003
Mn 0 .25 1/8 .0052 .0052 .0029 .0011 0 0
Al 0 0 0 .0029 .0029 .0029 .0001 .0001 .0001
Si 3/8 0 .25 .0026 .0024 .0024 0 0 0
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Spessartine
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 0002778
11.610 11.610 11.610 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 .03492 .04783 .65236 .0038 .0050 .0036 .0002 -.0003 .0000
Mn 0 .25 1/8 .0064 .0064 .0034 .0013 0 0
Al 0 0 0 .0031 .0031 .0031 -.0000 -.0000 -.0000
Si 3/8 0 .25 .0029 .0026 .0026 0 0 0
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Spessartine
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 0002779
11.615 11.615 11.615 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 .03489 .04775 .65226 .0051 .0061 .0037 .0005 -.0008 .0004
Mn 0 .25 1/8 .0077 .0077 .0038 .0014 0 0
Al 0 0 0 .0036 .0036 .0036 -.0000 -.0000 -.0000
Si 3/8 0 .25 .0036 .0032 .0032 0 0 0
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Spessartine
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 0002780
11.615 11.615 11.615 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 .03511 .04774 .65228 .0052 .0061 .0039 .0006 -.0007 .0000
Mn 0 .25 1/8 .0080 .0080 .0041 .0016 0 0
Al 0 0 0 .0037 .0037 .0037 .0001 .0001 .0001
Si 3/8 0 .25 .0036 .0031 .0031 0 0 0
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Spessartine
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 0002781
11.615 11.615 11.615 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 .0348 .0479 .6523 .0047 .0064 .0045 .0007 -.0010 .0001
Mn 0 .25 1/8 .0086 .0086 .0042 .0018 0 0
Al 0 0 0 .0036 .0036 .0036 -.0003 -.0003 -.0003
Si 3/8 0 .25 .0037 .0037 .0037 0 0 0
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Spessartine
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 0002782
11.621 11.621 11.621 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 .0350 .0477 .6526 .0057 .0070 .0046 .0008 -.0006 .0005
Mn 0 .25 1/8 .0102 .0102 .0048 .0022 0 0
Al 0 0 0 .0045 .0045 .0045 .0003 .0003 .0003
Si 3/8 0 .25 .0038 .0040 .0040 0 0 0
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Spessartine
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 0002783
11.622 11.622 11.622 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 .0350 .0478 .6524 .0053 .0077 .0053 .0002 -.0006 -.0011
Mn 0 .25 1/8 .0104 .0104 .0053 .0022 0 0
Al 0 0 0 .0046 .0046 .0046 .0000 .0000 .0000
Si 3/8 0 .25 .0045 .0038 .0038 0 0 0
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Spessartine
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 0002784
11.624 11.624 11.624 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 .0350 .0478 .6525 .0051 .0077 .0050 .0008 -.0011 -.0003
Mn 0 .25 1/8 .0099 .0099 .0053 .0023 0 0
Al 0 0 0 .0044 .0044 .0044 .0008 .0008 .0008
Si 3/8 0 .25 .0048 .0036 .0036 0 0 0
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Spessartine
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 0002785
11.627 11.627 11.627 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 .0349 .0478 .6525 .0061 .0076 .0051 .0005 -.0008 .0002
Mn 0 .25 1/8 .0108 .0108 .0052 .0026 0 0
Al 0 0 0 .0048 .0048 .0048 .0001 .0001 .0001
Si 3/8 0 .25 .0050 .0044 .0044 0 0 0
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Spessartine
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 = 548 K
_database_code_amcsd 0002786
11.632 11.632 11.632 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 .0350 .0474 .6526 .0093 .0070 .0071 -.0009 -.0009 .0006
Mn 0 .25 1/8 .0139 .0139 .0067 .0029 0 0
Al 0 0 0 .0060 .0060 .0060 -.0003 -.0003 -.0003
Si 3/8 0 .25 .0053 .0056 .0056 0 0 0
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Spessartine
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 = 598 K
_database_code_amcsd 0002787
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)
O .0350 .0474 .6526 .0073 .0107 .0070 .0005 -.0008 .0004
Mn 0 .25 1/8 .0149 .0149 .0069 .0029 0 0
Al 0 0 0 .0062 .0062 .0062 .0004 .0004 .0004
Si 3/8 0 .25 .0061 .0053 .0053 0 0 0
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Spessartine
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 = 648 K
_database_code_amcsd 0002788
11.645 11.645 11.645 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 .0351 .0473 .6524 .0071 .0108 .0078 .0007 -.0015 -.0001
Mn 0 .25 1/8 .0159 .0159 .0078 .0032 0 0
Al 0 0 0 .0068 .0068 .0068 .0001 .0001 .0001
Si 3/8 0 .25 .0059 .0058 .0058 0 0 0
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Spessartine
Gramaccioli C M, Pilati T, Demartin F,
Acta Crystallographica B58 (2002) 965-969
Atomic displacement parameters for spessartine Mn3Al2Si3O12
and their lattice-dynamical interpretation
Locality: Elba Isle, Campo, Italy
_database_code_amcsd 0009927
11.630 11.630 11.630 90 90 90 Ia3d
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
AlY 0 0 0 .350 .00443 .00443 .00443 -.00030 -.00030 -.00030
MnX 0 .25 .125 .611 .00923 .00923 .00476 .00174 0 0
SiZ .375 0 .25 .307 .00350 .00407 .00407 0 0 0
O .03473 .04789 .65210 .420 .00540 .00620 .00430 .00050 -.00050 -.00040
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