American Mineralogist Crystal Structure Database

14 matching records for this search.

Gypsum
Download hom/gypsum.pdf
Schofield P F, Knight K S, Stretton I C
Download am/vol81/AM81_847.pdf
American Mineralogist 81 (1996) 847-851
Thermal expansion of gypsum investigated by neutron powder diffraction
T = 4.2 K
_database_code_amcsd 0001807
5.6740 15.1049 6.4909 90 118.513 90 *I2/a
.25 0 .25
atom      x      y      z  Biso
Ca       .5 .07996    .25  .098
S         0 .07667    .75  .104
O1   .96413 .13282 .55028  .297
O2   .75763 .02194 .66427  .280
Ow   .38342 .17240 .46179  .318
D1   .25369 .16662 .50769 1.428
D2   .40549 .24481 .49322 1.288
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Gypsum
Download hom/gypsum.pdf
Schofield P F, Knight K S, Stretton I C
Download am/vol81/AM81_847.pdf
American Mineralogist 81 (1996) 847-851
Thermal expansion of gypsum investigated by neutron powder diffraction
T = 150 K
_database_code_amcsd 0001808
5.6742 15.1236 6.5018 90 118.495 90 *I2/a
.25 0 .25
atom      x      y      z  Biso
Ca       .5 .07984    .25  .207
S         0 .07695    .75  .237
O1   .96371 .13292 .55070  .602
O2   .75753 .02170 .66443  .518
Ow   .38222 .18229 .46024  .795
D1   .25341 .16210 .50655 1.911
D2   .40493 .24446 .49252 1.728
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Gypsum
Download hom/gypsum.pdf
Schofield P F, Knight K S, Stretton I C
Download am/vol81/AM81_847.pdf
American Mineralogist 81 (1996) 847-851
Thermal expansion of gypsum investigated by neutron powder diffraction
T = 320 K
_database_code_amcsd 0001809
5.6769 15.2074 6.5277 90 118.494 90 *I2/a
.25 0 .25
atom      x      y      z  Biso
Ca       .5 .07864    .25  .570
S         0 .07872    .75  .504
O1   .96164 .13263 .55120 1.177
O2   .75714 .02154 .66527  .970
Ow   .37837 .18255 .46544 1.749
D1   .25043 .16150 .50086 3.520
D2   .40225 .24347 .49003 3.074
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View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 0.0001 GPa
_database_code_amcsd 0004651
6.277 15.181 5.672 90 114.11 90 C2/c
atom     x      y       z  Uiso
Ca       0 .17050     .25 .0117
S        0 .32727     .75 .0099
O1  .08319 .27218  .59103 .0169
O2  .19997 .38195  .91298 .0169
OW -.20823 .06826 -.07831 .0241
H1   -.258   .087   -.234  .033
H2   -.244   .020   -.077  .044
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Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 0.25 GPa
_database_code_amcsd 0004652
6.282 15.175 5.673 90 114.13 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1697     .25  .009
S         0  .3285     .75  .007
O1     .084   .272    .592  .012
O2     .200   .383    .914  .013
WatOW -.211   .066   -.081  .020
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Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 0.33 GPa
_database_code_amcsd 0004653
6.269 15.140 5.665 90 114.10 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1709     .25  .011
S         0  .3267     .75  .008
O1     .085   .273    .591  .010
O2     .200   .383    .916  .011
WatOW -.209   .066   -.082  .026
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 0.56 GPa
_database_code_amcsd 0004654
6.263 15.163 5.662 90 114.24 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1711     .25  .009
S         0  .3288     .75  .006
O1     .082   .276    .591  .010
O2     .203   .387    .917  .012
WatOW -.213   .069   -.082  .023
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 1.01 GPa
_database_code_amcsd 0004655
6.241 15.130 5.645 90 114.42 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1696     .25  .010
S         0  .3268     .75  .008
O1     .084   .272    .590  .009
O2     .200   .382    .915  .012
WatOW -.213   .063   -.080  .020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 2.03 GPa
_database_code_amcsd 0004656
6.200 15.010 5.610 90 114.86 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1690     .25  .010
S         0  .3270     .75  .008
O1     .082   .271    .591  .014
O2     .201   .384    .918  .012
WatOW -.217   .064   -.079  .013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 3.15 GPa
_database_code_amcsd 0004657
6.162 14.965 5.580 90 115.38 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1679     .25  .010
S         0  .3266     .75  .008
O1     .088   .270    .590  .012
O2     .205   .386    .920  .010
WatOW -.222   .062   -.078  .018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Comodi P, Nazzareni S, Zanazzi P F, Speziale S
Download am/vol93/AM93_1530.pdf
American Mineralogist 93 (2008) 1530-1537
High-pressure behavior of gypsum: A single-crystal X-ray study
Locality: Valle di Caramanico, Abruzzo, Italy
Note: P = 3.94 GPa
_database_code_amcsd 0004658
6.136 14.912 5.556 90 115.73 90 C2/c
atom      x      y       z  Uiso
Ca        0  .1672     .25  .009
S         0  .3255     .75  .005
O1     .084   .272    .589  .011
O2     .208   .384    .925  .013
WatOW -.226   .063   -.078  .015
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Knight K S, Stretton I C, Schofield P F
 
Physics and Chemistry of Minerals 26 (1999) 477-483
Temperature evolution between 50 K and 320 K of the
thermal expansion tensor of gypsum derived from neutron powder
diffraction data
Sample: T = 320 K
_database_code_amcsd 0008228
5.6769 15.2074 6.5277 90 118.494 90  *I2/a
.25 0 .25
atom      x     y     z
Ca       .5 .0786   .25
S         0 .0787   .75
O1   -.0384 .1326 .5512
O2    .2429 .0215 .8347
Ow    .3784 .1825 .4554
D1    .2504 .1615 .5009
D2    .4022 .2435 .4900
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Gypsum
Download hom/gypsum.pdf
Wooster W
 
Zeitschrift fur Kristallographie 94 (1936) 375-396
On the crystal structure of gypsum Ca S O4 (H2 O)2
_cod_database_code 1010981
_database_code_amcsd 0017897
10.47 15.15 6.51 90 151.55 90 C2/c
atom    x    y     z
Ca1     0  .42   .25
S1      0 .083  -.25
O1   .033  .14 -.018
O2   .241 .026  .066
O3   .128 .314  .165
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Gypsum
Download hom/gypsum.pdf
Boeyens J C A, Ichharam V V H
 
Zeitschrift fur Kristallographie 217 (2002) 9-10
Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O
Locality: synthetic
_database_code_amcsd 0011093
6.284 15.200 6.523 90 127.41 90 C2/c
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      .5 .07956   .75       .0105  .0124  .0104      0  .0057      0
S        0 .07724   .75       .0084  .0108  .0090      0  .0046      0
O1   .0372 .13198 .5872       .0163  .0187  .0145  .0006  .0093  .0052
O2   .2424 .02211 .9092       .0115  .0179  .0172  .0052  .0075  .0068
OW   .6202 .18197 .0784       .0304  .0182  .0157  .0013  .0099 -.0028
H1    .749   .162  .251 .031
H2    .584   .235  .073 .057
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 14
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