American Mineralogist Crystal Structure Database

7 matching records for this search.

Bassanite
Download hom/bassanite.pdf
Bezou C, Christensen A N, Cox D, Lehmann M, Nonat A
 
Comptes Rendus de l'Academie des Sciences Paris 312 (1991) 43-48
Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O
Note: CaSO4*0.5H2O
Locality: synthetic
_database_code_amcsd 0019823
12.01917 6.93028 12.66972 90 90.2348 90 I2
atom      x      y     z Biso
Ca1       0  .1191    .5  .45
Ca2   .7238  .2817 .8217  .31
Ca3   .2678  .3246 .6709  .14
Ca4       0  .1397     0  .15
S1   -.0024  .1239 .7385  .89
S2    .7178  .2821 .5840  .94
S3    .2666  .2935 .9231  .89
O11   .0601  .2767 .6792 1.48
O12   .0615  .0144 .8137 1.65
O21  -.0809  .2283 .8106 1.40
O22  -.0727 -.0321 .6898 1.54
O31   .7404  .4321 .6647 1.40
O32   .6341  .3644 .5093 1.33
O33   .8135  .2615 .5116 1.31
O34   .6996  .0927 .6372 1.40
O41   .2382  .4472 .8459 1.71
O42   .3678  .3383 .9874 1.03
O43   .1910  .2122 .0033 1.13
O44   .3029  .1441 .8460  1.2
Ow2   .0599  .5988 .3421 1.03
Ow1       0  .4555     0 1.67
H1    .0522  .5552 .0380 4.59
H2   -.0343  .6035 .4086 5.46
H3    .0838  .4869 .2861 5.48
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View JMOL 3-D Structure (permalink)
 
Bassanite
Download hom/bassanite.pdf
Bezou C, Christensen A N, Cox D, Lehmann M, Nonat A
 
Comptes Rendus de l'Academie des Sciences Paris 312 (1991) 43-48
Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O
Note: CaSO4*0.6H2O
Locality: synthetic
_database_code_amcsd 0019824
11.9991 6.9254 6.3766 90 90.00 90 C2
atom      x      y     z occ Biso
Ca1   .2743  .1818 .6550       .4
Ca2       0      0     0      .38
S1        0      0    .5      .71
S2    .2684  .1543 .1642      .84
O1    .0566  .8678 .3524     1.66
O2   -.0905  .1059 .3929     1.47
O3    .2424  .3183 .3066     1.66
O4    .3657  .1720 .0234     1.71
O5    .1962  .0651 .0008     1.78
O6    .2981 -.0163 .2946     1.64
Ow7   .0556  .4846 .2947  .9 2.18
H1    .0584  .3479 .3508  .9 7.40
H2   -.0030  .4923 .1802  .9 9.31
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View JMOL 3-D Structure (permalink)
 
Anhydrite
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Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S
 
Journal of Solid State Chemistry 117 (1995) 165-176
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
by powder diffraction methods
Locality: Maurienne, France
_database_code_amcsd 0013866
12.0777 6.9723 6.3040 90 90 90 C222
atom     x     y     z Biso
Ca2    .25   .25 .6664 1.60
Ca4      0     0     0  .62
S2       0     0    .5  .73
S4     .25   .25 .1648  .56
O12  .0713 .8842 .3548  .69
O41  .2267 .4152 .3049  .18
O42  .3494  .274 .0292 1.01
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bassanite
Download hom/bassanite.pdf
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S
 
Journal of Solid State Chemistry 117 (1995) 165-176
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
by powder diffraction methods
Locality: Maurienne, France
Sample: SH1, X-ray diffraction
_database_code_amcsd 0013867
12.0317 6.9272 12.6711 90 90.27 90 I2
atom     x     y    z Biso
Ca1      0  .003   .5   .5
Ca2   .720  .164 .158   .5
Ca3   .263  .206 .336   .4
Ca4      0     0    0   .3
S2    .001  .003 .254   .8
S3    .724  .172 .418   .8
S4    .275  .183 .086   .9
O11   .076  .144 .309  1.0
O12   .066 -.130 .186   .9
O21  -.069  .108 .176  1.0
O22  -.063 -.111 .331   .9
O31   .737  .306 .330   .9
O32   .635  .227 .495  1.0
O33   .824  .157 .485  1.0
O34   .700 -.016 .365  1.0
O41   .236  .349 .147  1.1
O42   .378  .241 .028   .6
O43   .196  .099 .009   .7
O44   .300  .043 .169   .8
Wat2  .044  .481 .650  2.5
Wat1     0  .347    0  2.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bassanite
Download hom/bassanite.pdf
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S
 
Journal of Solid State Chemistry 117 (1995) 165-176
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
by powder diffraction methods
Locality: Maurienne, France
Sample: SH1, neutron Diffraction
_database_code_amcsd 0013868
12.0317 6.9269 12.6712 90 90.27 90 I2
atom     x     y    z Biso
Ca1      0  .015   .5   .5
Ca2   .718  .177 .157   .6
Ca3   .263  .218 .337   .7
Ca4      0     0    0   .7
S2   -.002  .024 .253   .9
S3    .723  .191 .417  1.0
S4    .276  .204 .087  1.0
O11   .072  .156 .315  1.3
O12   .063 -.102 .181  1.3
O21  -.079  .130 .180  1.1
O22  -.065 -.105 .325  1.1
O31   .738  .338 .333  1.3
O32   .629  .232 .489  1.2
O33   .825  .180 .486  1.3
O34   .706 -.003 .365  1.3
O41   .226  .364 .148  1.3
O42   .376  .244 .022  1.2
O43   .194  .131 .007  1.2
O44   .299  .042 .161  1.2
Ow2   .049  .503 .650  2.6
Ow1      0  .349    0  2.5
H1   -.049  .436 .039  5.3
H2   -.021  .567 .659  5.6
H3    .049  .400 .703  5.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bassanite
Download hom/bassanite.pdf
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S
 
Journal of Solid State Chemistry 117 (1995) 165-176
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
by powder diffraction methods
Locality: Maurienne, France
Sample: SH2, X-ray diffraction
_database_code_amcsd 0013869
11.9845 6.9292 12.7505 90 90 90 I2
atom     x     y     z occ Biso
Ca1      0  .026    .5       .8
Ca2   .722  .178  .166       .2
Ca3   .270  .187  .322       .4
Ca4      0     0     0       .7
S2    .007  .009  .247       .7
S3    .724  .168  .408       .7
S4    .273  .177  .085       .7
O11   .074  .121  .304      1.0
O12   .058  .899  .182      1.0
O21  -.082  .113  .187      1.0
O22  -.044  .875  .324      1.0
O31   .743  .344  .343       .9
O32   .629  .236  .479      1.0
O33   .813  .174  .489      1.0
O34   .697 -.022  .354      1.0
O41   .183  .312  .124      1.1
O42   .368  .248  .018       .6
O43   .199  .147 -.007       .7
O44   .296  .053  .181       .9
Wat2  .426 -.001  .345  .9  1.7
Wat1  .542 -.023  .129  .9  1.2
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bassanite
Download hom/bassanite.pdf
Bezou C, Nonat A, Mutin J C, Christensen A N, Lehmann M S
 
Journal of Solid State Chemistry 117 (1995) 165-176
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
by powder diffraction methods
Locality: Maurienne, France
Sample: SH2, neutron Diffraction
_database_code_amcsd 0013870
11.9845 6.9292 12.7505 90 90 90 I2
atom     x     y    z occ Biso
Ca1      0  .000   .5       .6
Ca2   .723  .139 .141       .7
Ca3   .259  .189 .341       .7
Ca4      0     0    0       .3
S2   -.001  .007 .244       .7
S3    .718  .163 .405       .7
S4    .276  .162 .091       .7
O11   .087  .109 .301      1.6
O12   .089 -.088 .177      1.7
O21  -.049  .110 .156      1.7
O22  -.066  .861 .314      1.7
O31   .732  .308 .319      1.7
O32   .621  .214 .474      1.6
O33   .804  .147 .490      1.6
O34   .697 -.035 .360      1.7
O41   .232  .320 .161      1.6
O42   .376  .199 .025      1.6
O43   .186  .120 .012      1.6
O44   .295 -.008 .163      1.7
Ow2   .455  .024 .329  .9  1.9
Ow1   .556 -.004 .167  .9  2.3
H1    .515  .031 .382  .9  3.6
H2    .469 -.095 .288  .9  4.4
H3    .500  .087 .191  .9  1.4
H4    .548  .884 .212  .9  6.7
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: 7
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