American Mineralogist Crystal Structure Database

8 matching records for this search.

Hydrogarnet
 
Lager G A, Armbruster T, Faber J
Download am/vol72/AM72_756.pdf
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 100 K
_database_code_amcsd 0001104
12.5389 12.5389 12.5389 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  .00134  .00088  .00088       0       0 -.00001
Al       0     0     0  .00050   .0005   .0005 -.00013 -.00013 -.00013
O    .0284 .0525 .6401  .00082  .00121  .00084 -.00010 -.00023 -.00024
D    .1521 .0899 .7995  .00211  .00497  .00820 -.00196 -.00175  .00262
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View JMOL 3-D Structure (permalink)
 
Hydrogarnet
 
Lager G A, Armbruster T, Faber J
Download am/vol72/AM72_756.pdf
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 200 K
_database_code_amcsd 0001105
12.5530 12.5530 12.5530 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 .00142 .00117 .00117       0       0       0
Al       0     0     0 .00074 .00074 .00074 -.00016 -.00016 -.00016
O    .0284 .0523 .6399 .00105 .00144 .00107 -.00008 -.00019 -.00020
D    .1523 .0904 .7986 .00222 .00519 .00890 -.00215 -.00149  .00235
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View JMOL 3-D Structure (permalink)
 
Hydrogarnet
 
Lager G A, Armbruster T, Faber J
Download am/vol72/AM72_756.pdf
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K
_database_code_amcsd 0001106
12.5695 12.5695 12.5695 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 .00172 .00149 .00149       0       0 -.00029
Al       0     0     0 .00094 .00094 .00094 -.00080 -.00080 -.00080
O    .0288 .0522 .6402 .00197 .00183 .00120 -.00019 -.00004 -.00063
D    .1517 .0913 .7985 .00293 .00635 .01098 -.00268 -.00165  .00249
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hydrogarnet
 
Lager G A, Armbruster T, Faber J
Download am/vol72/AM72_756.pdf
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K, X-ray 1, with H
_database_code_amcsd 0001107
12.565 12.565 12.565 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 .00169 .00115 .00114       0       0  .00023
Al        0      0      0 .00103 .00103 .00103 -.00016 -.00016 -.00016
O    .02797 .05260 .63958 .00166 .00193 .00139 -.00025 -.00042 -.00037
H     .1723  .0931  .7989 .00522 .00421 .00717  .00355  .00413  .00490
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View JMOL 3-D Structure (permalink)
 
Hydrogarnet
 
Lager G A, Armbruster T, Faber J
Download am/vol72/AM72_756.pdf
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K, X-ray 2, without H
_database_code_amcsd 0001108
12.565 12.565 12.565 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 .00171 .00114 .00114       0       0  .00032
Al       0     0     0 .00106 .00106 .00106 -.00008 -.00008 -.00008
OH   .0286 .0528 .6398 .00185 .00181 .00129 -.00030 -.00012 -.00045
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View JMOL 3-D Structure (permalink)
 
Cristobalite
Download hom/cristobalite.pdf
Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 10 K
Locality: synthetic
_database_code_amcsd 0012928
4.9570 4.9570 6.8903 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .3047 .3047     0  .0015  .0015  .0012  .0004  .0005 -.0005
O    .2381 .1109 .1826  .0073  .0004  .0022 -.0006  .0006  .0013
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View JMOL 3-D Structure (permalink)
 
Cristobalite
Download hom/cristobalite.pdf
Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 296 K
Locality: synthetic
_database_code_amcsd 0012929
4.9709 4.9709 6.9278 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .3005 .3005     0 .0104  .0104   .0056  .0019  .0002 -.0002
O    .2392 .1037 .1786 .0319  .0069   .0090 -.0030  .0017  .0037
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cristobalite
Download hom/cristobalite.pdf
Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 473 K
Locality: synthetic
_database_code_amcsd 0012930
4.9877 4.9877 6.9697 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .2949 .2949     0  .0139  .0139  .0077  .0000 -.0006  .0006
O    .2416 .0968 .1747  .0466  .0106  .0128 -.0022  .0089  .0052
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 8
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