American Mineralogist Crystal Structure Database

68 matching records for this search.

Pyrope
Download hom/pyrope.pdf
Gibbs G V, Smith J V
Download am/vol50/AM50_2023.pdf
American Mineralogist 50 (1965) 2023-2039
Refinement of the crystal structure of synthetic pyrope
refinement D, note that temperature factors reported for Si were labelled
incorrectly in the paper
_database_code_amcsd 0000142
11.459 11.459 11.459 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)
Al        0      0      0 .00060 .00060 .00060 .00004  .00004  .00004
Mg     .125      0    .25 .00102 .00167 .00167      0       0  .00041
Si     .375      0    .25 .00056 .00046 .00046      0       0       0
O    .03284 .05014 .65330 .00099 .00103 .00078 .00013 -.00014 -.00009
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Novak G A, Meyer H O A
Download am/vol55/AM55_2124.pdf
American Mineralogist 55 (1970) 2124-2127
Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in
natural diamond
_database_code_amcsd 0000218
11.526 11.526 11.526 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)
Mgx       0   .25   .125 .875 .00095 .00134 .00134       0       0  .00033
Fex       0   .25   .125 .089 .00095 .00134 .00134       0       0  .00033
Cax       0   .25   .125 .030 .00095 .00134 .00134       0       0  .00033
Mnx       0   .25   .125 .005 .00095 .00134 .00134       0       0  .00033
Aly       0     0      0 .670 .00058 .00058 .00058 -.00003 -.00003 -.00003
Cry       0     0      0 .286 .00058 .00058 .00058 -.00003 -.00003 -.00003
Fey       0     0      0 .044 .00058 .00058 .00058 -.00003 -.00003 -.00003
Si        0   .25   .375 .996 .00068 .00068 .00055       0       0       0
Al        0   .25   .375 .004 .00068 .00068 .00055       0       0       0
O1   .03346 .0507 .65366      .00130 .00142 .00115 0.00006 -.00019  .00002
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Pyrope
Download hom/pyrope.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 Py
Locality: synthetic
_database_code_amcsd 0000238
11.459 11.459 11.459 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 .00039 .00043 .00043      0       0       0
Al        0      0      0 .00075 .00075 .00075 .00001  .00001  .00001
Mg     .125      0    .25 .00121 .00170 .00170      0       0  .00039
O    .03285 .05015 .65335 .00104 .00103 .00087 .00012 -.00005 -.00005
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Pyrope
Download hom/pyrope.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 Cr-Py
Locality: inclusioin in a Venezuelan diamond
_database_code_amcsd 0000239
11.526 11.526 11.526 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 .00055 .00055       0       0       0
Al        0     0      0 .67 .00059 .00059 .00059 -.00003 -.00003 -.00003
Cr        0     0      0 .33 .00059 .00059 .00059 -.00003 -.00003 -.00003
Mg     .125     0    .25 .88 .00096 .00134 .00134       0       0  .00033
Fe     .125     0    .25 .12 .00096 .00134 .00134       0       0  .00033
O    .03346 .0507 .65366      .0013 .00142 .00115  .00006 -.00019  .00003
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Pyrope
Download hom/pyrope.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 0000446
11.456 11.456 11.456 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)
Mg    .125     0   .25      .00072 .00231 .00231      0      0 .00065
Al       0     0     0   .4
Si       0   .25  .375      .00038 .00038 .00087      0      0      0
O    .0328 .0503 .6534      .00158 .00038 .00073 .00014 -.0001 .00031
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Pyrope
Download hom/pyrope.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 = 350 deg C
garnet
_database_code_amcsd 0000447
11.490 11.490 11.490 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)
Mg    .125     0   .25      .00179 .00300 .00300       0      0  .00034
Al       0     0     0  .71
Si       0   .25  .375      .00065 .00065 .00140       0      0       0
O    .0335 .0499 .6534      .00223 .00217 .00099 -.00008 .00021 -.00027
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Pyrope
Download hom/pyrope.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 = 550 deg C
garnet
_database_code_amcsd 0000448
11.507 11.507 11.507 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)
Mg    .125     0   .25      .00112 .00536 .00536       0       0 .00168
Al       0     0     0  .75
Si       0   .25  .375      .00177 .00177 .00002       0       0      0
O    .0331 .0493 .6536      .00147 .00176 .00182 -.00003 -.00060 .00033
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Pyrope
Download hom/pyrope.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 = 750 deg C
garnet
_database_code_amcsd 0000449
11.530 11.530 11.530 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)
Mg    .125     0   .25      .00194 .00552 .00552      0       0  .00156
Al       0     0     0 1.12
Si       0   .25  .375      .00146 .00146 .00127      0       0       0
O    .0332 .0489 .6535      .00288 .00323 .00252 .00003 -.00059 -.00015
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Pyrope
Download hom/pyrope.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: synthetic
_database_code_amcsd 0000629
11.456 11.456 11.456 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25  .70
Al       0     0     0  .31
Si    .375     0   .25  .32
O    .0328 .0502 .6534  .35
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Pyrope
Download hom/pyrope.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 = 16 kbar
Locality: synthetic
_database_code_amcsd 0000630
11.412 11.412 11.412 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25  .73
Al       0     0     0  .44
Si    .375     0   .25  .32
O    .0329 .0495 .6532  .24
Download AMC data (View Text File)
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Pyrope
Download hom/pyrope.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 = 31 kbar
Locality: synthetic
_database_code_amcsd 0000631
11.377 11.377 11.377 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25  .69
Al       0     0     0   .5
Si    .375     0   .25   .3
O    .0327 .0503 .6522   .2
Download AMC data (View Text File)
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Pyrope
Download hom/pyrope.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 = 43 kbar
Locality: synthetic
_database_code_amcsd 0000632
11.352 11.352 11.352 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25  .78
Al       0     0     0   .2
Si    .375     0   .25   .3
O    .0331 .0503 .6532   .5
Download AMC data (View Text File)
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Pyrope
Download hom/pyrope.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 = 56 kbar
Locality: synthetic
_database_code_amcsd 0000633
11.318 11.318 11.318 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25   .6
Al       0     0     0   .5
Si    .375     0   .25   .3
O    .0313 .0506 .6535   .9
Download AMC data (View Text File)
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Pyrope
Download hom/pyrope.pdf
Hazen R M, Finger L W
Download am/vol74/AM74_352.pdf
American Mineralogist 74 (1989) 352-359
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for
high-pressure diffraction experiments
sample in air
_database_code_amcsd 0001213
11.548 11.548 11.548 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 .972 .00150 .00124 .00124      0       0       0
Al    .375     0   .25 .028 .00150 .00124 .00124      0       0       0
Al       0     0     0 .933 .00124 .00124 .00124 .00008  .00008  .00008
Mg       0     0     0 .050 .00124 .00124 .00124 .00008  .00008  .00008
Fe       0     0     0 .005 .00124 .00124 .00124 .00008  .00008  .00008
Ti       0     0     0 .012 .00124 .00124 .00124 .00008  .00008  .00008
Mg    .125     0   .25 .634 .00121 .00214 .00214 .00028  .00028  .00028
Ca    .125     0   .25 .130 .00121 .00214 .00214 .00028  .00028  .00028
Fe    .125     0   .25 .216 .00121 .00214 .00214 .00028  .00028  .00028
Mn    .125     0   .25 .007 .00121 .00214 .00214 .00028  .00028  .00028
O    .0341 .0490 .6530      .00203 .00169 .00161 .00002 -.00002 -.00013
Download AMC data (View Text File)
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Pyrope
Download hom/pyrope.pdf
Hazen R M, Finger L W
Download am/vol74/AM74_352.pdf
American Mineralogist 74 (1989) 352-359
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for
high-pressure diffraction experiments
P = 2.15 GPa, conventinal refinement
_database_code_amcsd 0001214
11.493 11.493 11.493 90 90 90 Ia-3d
atom     x     y     z  occ Biso
Si    .375     0   .25 .972 0.71
Al    .375     0   .25 .028 0.71
Al       0     0     0 .933 0.66
Mg       0     0     0 .050 0.66
Fe       0     0     0 .005 0.66
Ti       0     0     0 .012 0.66
Mg    .125     0   .25 .634 0.95
Ca    .125     0   .25 .130 0.95
Fe    .125     0   .25 .216 0.95
Mn    .125     0   .25 .007 0.95
O    .0345 .0497 .6519      0.95
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Hazen R M, Finger L W
Download am/vol74/AM74_352.pdf
American Mineralogist 74 (1989) 352-359
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for
high-pressure diffraction experiments
P = 2.15 GPa, selected data refinement
_database_code_amcsd 0001215
11.493 11.493 11.493 90 90 90 Ia-3d
atom     x     y     z  occ Biso
Si    .375     0   .25 .972 0.71
Al    .375     0   .25 .028 0.71
Al       0     0     0 .933 0.66
Mg       0     0     0 .050 0.66
Fe       0     0     0 .005 0.66
Ti       0     0     0 .012 0.66
Mg    .125     0   .25 .634 0.95
Ca    .125     0   .25 .130 0.95
Fe    .125     0   .25 .216 0.95
Mn    .125     0   .25 .007 0.95
O    .0352 .0477 .6525      0.95
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py100-Alm0 at T = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001460
11.441 11.441 11.441 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)
MgX       0    .25   .125 .00506 .00506 .00274 .00119       0      0
AlY       0      0      0 .00210 .00210 .00210 .00000  .00000 .00000
SiZ    .375      0    .25 .00166 .00192 .00192      0       0      0
O    .03292 .05067 .65333 .00313 .00370 .00252 .00043 -.00062 .00000
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py80-Alm20 at T = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001461
11.458 11.458 11.458 90 90 90 Ia-3d
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0    .25   .125  .8 0.0043 0.0043 0.0021  .0000      0      0
FeX       0    .25   .125  .2 0.0043 0.0043 0.0021      0      0      0
AlY       0      0      0     0.0016 0.0016 0.0016 -.0002 -.0002 -.0002
SiZ    .375      0    .25     0.0015 0.0020 0.0020      0      0      0
O    .03295 .05062 .65326     0.0037 0.0034 0.0024 0.0001 -.0005 0.0001
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py60-Alm40 at T = 100 K, Pyrope - Almandine join
_database_code_amcsd 0001462
11.471 11.471 11.471 90 90 90 Ia-3d
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0    .25   .125  .6 0.0043 0.0043 0.0016 0.0004      0      0
FeX       0    .25   .125  .4 0.0043 0.0043 0.0016 0.0004      0      0
AlY       0      0      0     0.0014 0.0014 0.0014 -.0001 -.0001 -.0001
SiZ    .375      0    .25     0.0009 0.0015 0.0015      0      0      0
O    .03327 .05031 .65291     0.0024 0.0031 0.0023 0.0005 -.0009 -.0002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py100-Alm0 at T = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001465
11.452 11.452 11.452 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)
MgX       0    .25   .125 0.0104 0.0104 0.0045 0.0031      0      0
AlY       0      0      0 0.0031 0.0031 0.0031  .0000  .0000  .0000
SiZ    .375      0    .25 .00245 .00296 .00296      0      0      0
O    .03290 .05034 .65330 0.0048 0.0059 0.0036 0.0009 -.0011 -.0002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py80-Alm20 at T = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001466
11.473 11.473 11.473 90 90 90 Ia-3d
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0    .25   .125  .8 0.0099 0.0099 0.0041 0.0017      0      0
FeX       0    .25   .125  .2 0.0099 0.0099 0.0041 0.0017      0      0
AlY       0      0      0     0.0029 0.0029 0.0029 0.0001 0.0001 0.0001
SiZ    .375      0    .25     0.0026 0.0029 0.0029      0      0      0
O    .03313 .05019 .65329     0.0053 0.0056 0.0038 0.0010 -.0011 0.0002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.pdf
Armbruster T, Geiger C A, Lager G A
Download am/vol77/AM77_512.pdf
American Mineralogist 77 (1992) 512-521
Single-crystal X-ray structure study of synthetic pyrope almandine garnets at
100 and 293 K
Py60-Alm40 at T = 293 K, Pyrope - Almandine join
_database_code_amcsd 0001467
11.485 11.485 11.485 90 90 90 Ia-3d
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0    .25   .125  .6 0.0095 0.0095 0.0045 0.0015      0      0
FeX       0    .25   .125  .4 0.0095 0.0095 0.0045 0.0015      0      0
AlY       0      0      0     0.0032 0.0032 0.0032  .0000  .0000  .0000
SiZ    .375      0    .25     0.0027 0.0032 0.0032      0      0      0
O    .03337 .04986 .65306     0.0050 0.0065 0.0040 0.0009 -.0009 -.0001
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.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 JW12
_database_code_amcsd 0001564
11.4566 11.4566 11.4566 90 90 90 Ia-3d
atom     x     y     z Biso
Si    .375     0   .25 .293
Al       0     0     0 .357
Mg    .125     0   .25 .707
O    .0329 .0501 .6528 .290
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Pyrope
Download hom/pyrope.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 JW13
_database_code_amcsd 0001565
11.4520 11.4520 11.4520 90 90 90 Ia-3d
atom     x     y     z  occ Biso
Si    .375     0   .25      .310
Al       0     0     0      .135
Mg    .125     0   .25 .804 .545
Ca    .125     0   .25 .196 .545
O    .0335 .0490 .6527      .215
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyrope
Download hom/pyrope.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 JW28
_database_code_amcsd 0001566
11.5670 11.5670 11.5670 90 90 90 Ia-3d
atom     x     y     z  occ Biso
Si    .375     0   .25      .395
Al       0     0     0      .337
Mg    .125     0   .25 .742 .579
Ca    .125     0   .25 .258 .579
O    .0340 .0481 .6525      .399
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Pyrope
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Pavese A, Artioli G, Prencipe M
Download am/vol80/AM80_457.pdf
American Mineralogist 80 (1995) 457-464
X-ray single-crystal diffraction study of pyrope in the temperature range
30-973 K
T = 30 K
_database_code_amcsd 0001740
11.439 11.439 11.439 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 .000226 .000295 .000295        0        0        0
Al         0       0       0 .000283 .000283 .000283 -.000003 -.000003 -.000003
Mg         0     .25    .125 .000631 .000631 .000393  .000113        0        0
O    .032907 .050688 .653311 .000438 .000534 .000359  .000055 -.000096  .000007
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Pyrope
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Pavese A, Artioli G, Prencipe M
Download am/vol80/AM80_457.pdf
American Mineralogist 80 (1995) 457-464
X-ray single-crystal diffraction study of pyrope in the temperature range
30-973 K
T = 300 K
_database_code_amcsd 0001741
11.4544 11.4544 11.4544 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 .000410 .000550 .000550        0        0        0
Al        0      0      0 .000520 .000520 .000520 -.000002 -.000002 -.000002
Mg        0    .25   .125 .001622 .001622 .000738  .000483        0        0
O    .03295 .05032 .65334 .000757 .000939 .000589  .000133 -.000174 -.000029
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Pyrope
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Pavese A, Artioli G, Prencipe M
Download am/vol80/AM80_457.pdf
American Mineralogist 80 (1995) 457-464
X-ray single-crystal diffraction study of pyrope in the temperature range
30-973 K
T = 773 K
_database_code_amcsd 0001742
11.5129 11.5129 11.5129 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 .000921 .001290 .001290       0        0        0
Al        0      0      0 .001216 .001216 .001216 .000003  .000003  .000003
Mg        0    .25   .125 .003870 .003870 .001720 .001060        0        0
O    .03306 .04963 .65344 .001720 .002170 .001310 .000314 -.000437 -.000077
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Pyrope
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Pavese A, Artioli G, Prencipe M
Download am/vol80/AM80_457.pdf
American Mineralogist 80 (1995) 457-464
X-ray single-crystal diffraction study of pyrope in the temperature range
30-973 K
T = 973 K
_database_code_amcsd 0001743
11.5348 11.5348 11.5348 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 .00115 .00115 .00115        0        0        0
Al        0      0      0 .00153 .00153 .00153 -.000006 -.000006 -.000006
Mg        0    .25   .125 .00479 .00479 .00213  .001330        0        0
O    .03304 .04942 .65354 .00215 .00267 .00164   .00037  -.00055  -.00007
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .05
_database_code_amcsd 0002255
11.4666 11.4666 11.4666 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25       .86
MgY        0      0      0 .025  .38
AlY        0      0      0 .950  .38
SiY        0      0      0 .025  .38
SiZ     .375      0    .25       .36
O    -.03278 .05012 .15345       .52
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .13
_database_code_amcsd 0002256
11.4755 11.4755 11.4755 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25       .89
MgY        0      0      0 .065  .37
AlY        0      0      0 .870  .37
SiY        0      0      0 .065  .37
SiZ     .375      0    .25       .41
O    -.03275 .05012 .15370       .58
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .24
_database_code_amcsd 0002257
11.4915 11.4915 11.4915 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25       .80
MgY        0      0      0 .119  .48
AlY        0      0      0 .762  .48
SiY        0      0      0 .119  .48
SiZ     .375      0    .25       .50
O    -.03306 .05050 .15407       .72
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .38
_database_code_amcsd 0002258
11.4833 11.4833 11.4833 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25      1.21
MgY        0      0      0 .187  .26
AlY        0      0      0 .626  .26
SiY        0      0      0 .187  .26
SiZ     .375      0    .25       .50
O    -.03278 .05022 .15422       .82
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .52
_database_code_amcsd 0002259
11.4876 11.4876 11.4876 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25      1.07
MgY        0      0      0 .260  .47
AlY        0      0      0 .480  .47
SiY        0      0      0 .260  .47
SiZ     .375      0    .25       .53
O    -.03281 .05034 .15414       .86
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Pyrope
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Nakatsuka A, Yoshiasa A, Yamanaka T, Ohtaka O, Katsura T, Ito E
Download am/vol84/AM84_1135.pdf
American Mineralogist 84 (1999) 1135-1143
Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3
Sample: x = .64
_database_code_amcsd 0002260
11.4891 11.4891 11.4891 90 90 90 Ia-3d
atom       x      y      z  occ Biso
MgX     .125      0    .25      1.46
MgY        0      0      0 .320  .33
AlY        0      0      0 .360  .33
SiY        0      0      0 .320  .33
SiZ     .375      0    .25       .58
O    -.03246 .05031 .15459      1.02
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Pyrope
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Merli M, Ungaretti L, Oberti R
Download am/vol85/AM85_532.pdf
American Mineralogist 85 (2000) 532-542
Leverage analysis and structure refinement of minerals
Sample: from Dora Maira 3
_database_code_amcsd 0002417
11.4573 11.4573 11.4573 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)
Mg     .125      0   .25 .00490 .01063 .01063      0       0  .00281
Al        0      0     0 .00377 .00377 .00377 .00001  .00001  .00001
Si     .375      0   .25 .00304 .00354 .00354      0       0       0
O     .0330  .0503 .6533 .00551 .00674 .00443 .00078 -.00118 -.00017
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Pyrope
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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 0004180
11.4940 11.4940 11.4940 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)
MgX    .125      0    .25 .90  .89 .00101 .00202 .00202      0       0  .00048
ScX    .125      0    .25 .10  .89 .00101 .00202 .00202      0       0  .00048
AlY       0      0      0      .47 .00089 .00089 .00089 .00001  .00001  .00001
SiT    .375      0    .25 .95  .40 .00073 .00077 .00077      0       0       0
MgT    .375      0    .25 .05  .40 .00073 .00077 .00077      0       0       0
O    .03290 .05061 .65349      .59 .00113 .00135 .00089 .00010 -.00015 -.00001
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 96.7 K
_database_code_amcsd 0018536
11.4401 11.4401 11.4401 90 90 90 Ia-3d
atom       x      y      z occ   Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg     .1267  .0060  .2512 .25  .0036
Al         0      0      0     .00292   .440   .440   .440   .004   .004   .004
Si      .375      0    .25     .00257   .349   .407   .407      0      0      0
O    -.03290 .05061 .15333     .00383   .552   .652   .531  -.072   .106   .028
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 122.3 K
_database_code_amcsd 0018537
11.4425 11.4425 11.4425 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00540
Al         0      0      0  .00279
Si      .375      0    .25  .00267
O    -.03294 .05040 .15337  .00388
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 173.7 K
_database_code_amcsd 0018538
11.4450 11.4450 11.4450 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00662
Al         0      0      0  .00307
Si      .375      0    .25  .00293
O    -.03298 .05053 .15350  .00422
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 223.3 K
_database_code_amcsd 0018539
11.4508 11.4508 11.4508 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00777
Al         0      0      0  .00352
Si      .375      0    .25  .00317
O    -.03303 .05037 .15341  .00472
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 273.6 K
_database_code_amcsd 0018540
11.4548 11.4548 11.4548 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00901
Al         0      0      0  .00399
Si      .375      0    .25  .00372
O    -.03295 .05044 .15340  .00540
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 295 K
_database_code_amcsd 0018541
11.4572 11.4572 11.4572 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .00963
Al         0      0      0  .00410
Si      .375      0    .25  .00380
O    -.03302 .05020 .15336  .00571
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 322.8 K
_database_code_amcsd 0018542
11.4592 11.4592 11.4592 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01033
Al         0      0      0  .00443
Si      .375      0    .25  .00414
O    -.03301 .05015 .15344  .00613
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 373.5 K
_database_code_amcsd 0018543
11.4641 11.4641 11.4641 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01166
Al         0      0      0  .00484
Si      .375      0    .25  .00446
O    -.03303 .05010 .15351  .00672
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 423.3 K
_database_code_amcsd 0018544
11.4690 11.4690 11.4690 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01293
Al         0      0      0  .00553
Si      .375      0    .25  .00509
O    -.03309 .05018 .15367  .00743
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 472.6 K
_database_code_amcsd 0018545
11.4730 11.4730 11.4730 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01433
Al         0      0      0  .00591
Si      .375      0    .25  .00544
O    -.03309 .04999 .15356  .00816
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 523.0 K
_database_code_amcsd 0018546
11.4801 11.4801 11.4801 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01527
Al         0      0      0  .00630
Si      .375      0    .25  .00568
O    -.03313 .04987 .15345  .00868
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 572.9 K
_database_code_amcsd 0018547
11.4848 11.4848 11.4848 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01644
Al         0      0      0  .00667
Si      .375      0    .25  .00614
O    -.03317 .04982 .15357  .00926
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 622.9 K
_database_code_amcsd 0018548
11.4893 11.4893 11.4893 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01767
Al         0      0      0  .00724
Si      .375      0    .25  .00652
O    -.03317 .04966 .15359  .00998
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 672.9 K
_database_code_amcsd 0018549
11.4960 11.4960 11.4960 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .01898
Al         0      0      0  .00773
Si      .375      0    .25  .00689
O    -.03314 .04968 .15356  .01072
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 723.0 K
_database_code_amcsd 0018550
11.5023 11.5023 11.5023 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02058
Al         0      0      0  .00825
Si      .375      0    .25  .00735
O    -.03323 .04949 .15357  .01153
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 773.1 K
_database_code_amcsd 0018551
11.5078 11.5078 11.5078 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02178
Al         0      0      0  .00879
Si      .375      0    .25  .00793
O    -.03321 .04947 .15363  .01219
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 823.1 K
_database_code_amcsd 0018552
11.5136 11.5136 11.5136 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02292
Al         0      0      0  .00932
Si      .375      0    .25  .00804
O    -.03330 .04901 .15374  .01286
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 873.1 K
_database_code_amcsd 0018553
11.5195 11.5195 11.5195 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02419
Al         0      0      0  .00990
Si      .375      0    .25  .00878
O    -.03325 .04934 .15359  .01371
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 922.9 K
_database_code_amcsd 0018554
11.5244 11.5244 11.5244 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02518
Al         0      0      0  .01042
Si      .375      0    .25  .00940
O    -.03328 .04926 .15366  .01437
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Pyrope
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Nakatsuka A, Shimokawa M, Nakayama N, Ohtaka O, Arima H, Okube M, Yoshiasa A
 
American Mineralogist 96 (2011) 1593-1605
Static disorders of atoms and experimental determination of Debye temperature in
pyrope: Low- and high-temperature single-crystal X-ray diffraction study
Locality: synthetic
Note: T = 972.9 K
_database_code_amcsd 0018555
11.5291 11.5291 11.5291 90 90 90 Ia-3d
atom       x      y      z    Uiso
Mg      .125      0    .25  .02627
Al         0      0      0  .01077
Si      .375      0    .25  .00985
O    -.03323 .04926 .15366  .01498
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Pyrope
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Armbruster T, Geiger C A
 
European Journal of Mineralogy 5 (1993) 59-71
Andradite crystal chemistry, dynamic X-site disorder
and structural strain in silicate garnets
Sample: T = 500K
_database_code_amcsd 0006474
11.476 11.476 11.476 90 90 90 Ia-3d
atom      x      y     z  Biso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg        0    1/4   1/8 1.062  .0167  .0167  .0071   .0050       0       0
Al        0      0     0  .382 .00484 .00484 .00484 -.00001 -.00001 -.00001
Si      3/8      0   1/4  .332 .00364 .00449 .00449       0       0       0
O    .03304 .05004 .6542  .570 .00719 .00916 .00533  .00128 -.00185 -.00029
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Pyrope
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Nestola F, Merli M, Nimis P, Parisatto M, Kopylova M,
De Stefano A, Longo M, Ziberna L, Manghnani M
 
European Journal of Mineralogy 24 (2012) 599-606
In situ analysis of garnet inclusion in diamond using
single-crystal X-ray diffraction and X-ray micro-tomography
Note: uncorrected for pressure inside the diamond
Locality: inclusion in diamond, Jericho kimberlite, Slave Craton, Canada
_database_code_amcsd 0019353
11.5826 11.5825 11.5826 90 90 90 Ia3d
atom     x     y     z occ
Mg    .125     0   .25 .41
Fe    .125     0   .25 .36
Ca    .125     0   .25 .23
Al       0     0     0 .99
Cr       0     0     0 .01
Si    .375     0   .25
O    .0346 .0484 .6527
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Pyrope
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Nestola F, Merli M, Nimis P, Parisatto M, Kopylova M,
De Stefano A, Longo M, Ziberna L, Manghnani M
 
European Journal of Mineralogy 24 (2012) 599-606
In situ analysis of garnet inclusion in diamond using
single-crystal X-ray diffraction and X-ray micro-tomography
Note: Parameters transformed to room conditions from pressure effect of diamond
Locality: inclusion in diamond, Jericho kimberlite, Slave Craton, Canada
_database_code_amcsd 0019354
11.6044 11.6044 11.6044 90 90 90 Ia3d
atom     x     y     z occ
Mg    .125     0   .25 .41
Fe    .125     0   .25 .36
Ca    .125     0   .25 .23
Al       0     0     0 .99
Cr       0     0     0 .01
Si    .375     0   .25
O    .0346 .0478 .6527
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Pyrope
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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
Sample: SBB
_database_code_amcsd 0007904
11.663 11.663 11.663 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 .463  .59  .0006  .0013  .0013      0      0  .0000
Fe2+X  .125     0   .25 .153  .59  .0006  .0013  .0013      0      0  .0000
Mn2+X  .125     0   .25 .003  .59  .0006  .0013  .0013      0      0  .0000
MgX    .125     0   .25 .380  .59  .0006  .0013  .0013      0      0  .0000
AlY       0     0     0 .995  .38  .0007  .0007  .0007  .0000  .0000  .0000
Fe3+Y     0     0     0 .005  .38  .0007  .0007  .0007  .0000  .0000  .0000
SiZ    .375     0   .25       .38  .0010  .0005  .0005      0      0      0
O     .0355 .0469 .6524       .61  .0017  .0010  .0007  .0002 -.0003  .0001
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 0.0 GPa
_database_code_amcsd 0008138
11.4545 11.4545 11.4545 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0332 .0497 .6537  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 3.48 GPa
_database_code_amcsd 0008139
11.3846 11.3846 11.3846 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0331 .0518 .6541  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 8.57 GPa
_database_code_amcsd 0008140
11.2893 11.2893 11.2893 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0330 .0527 .6535  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 11.53 GPa
_database_code_amcsd 0008141
11.2353 11.2353 11.2353 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0333 .0539 .6536  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 15.28 GPa
_database_code_amcsd 0008142
11.1717 11.1717 11.1717 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0327 .0545 .6535  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 24.07 GPa
_database_code_amcsd 0008143
11.0335 11.0335 11.0335 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0325 .0566 .6536  .54
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Pyrope
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Zhang L, Ahsbahs H, Kutoglu A
 
Physics and Chemistry of Minerals 25 (1998) 301-307
Hydrostatic compression and crystal structure of pyrope to 33 GPa
Sample: P = 32.47 GPa
_database_code_amcsd 0008144
10.9339 10.9339 10.9339 90 90 90 Ia-3d
atom     x     y     z Biso
Mg    .125     0   .25
Al       0     0     0
Si    .375     0   .25
O    .0321 .0571 .6527  .54
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