American Mineralogist Crystal Structure Database

4 matching records for this search.

Bassanite
Download hom/bassanite.pdf
Abriel W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=956
Acta Crystallographica C39 (1983) 956-958
Calcium sulfat subhydrat, CaSO4.0,8H2O
Locality: synthetic
_database_code_amcsd 0019836
6.968 6.968 6.410 90 90 120 P3_121
atom     x     y     z occ Biso
Ca   .5424     0   5/6     1.89
S    .5481     0   1/3     0.97
O1   .5952 .8564 .4656     2.03
O2   .3693 .8731 .1897     1.66
Wat  .9143     0   5/6 .81 4.75
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View JMOL 3-D Structure (permalink)
 
Churchite-(Y)
Download hom/churchitey.pdf
Kohlmann M, Sowa H, Reithmayer K, Schulz H, Kruger R R, Abriel W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=50&spage=1651
Acta Crystallographica C50 (1994) 1651-1652
Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation
Note: anisoU's taken from ICSD
Note: isostructural with gypsum
Locality: synthetic
_database_code_amcsd 0010295
5.578 15.006 6.275 90 117.83 90 I2/a
atom    x     y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y     .25 .8289    0 .947 .0059  .0038  .0078  .0061      0  .0000      0
Dy    .25 .8289    0 .028 .0059  .0038  .0078  .0061      0  .0000      0
Er    .25 .8289    0 .018 .0059  .0038  .0078  .0061      0  .0000      0
Gd    .25 .8289    0 .007 .0059  .0038  .0078  .0061      0  .0000      0
P     .25 .3307    0       .013   .009   .013   .017      0   .004      0
O1   .302 .3857 .224       .020   .018   .026   .017  -.006   .004   .003
O2   .506 .2714 .084       .015   .008   .022   .015  -.002  -.001   .002
Wat3 .630 .0680 .218       .022   .022   .018   .025   .003   .012  -.004
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Bassanite
Download hom/bassanite.pdf
Abriel W, Nesper R
Download zk/vol205/ZK205_99.pdf
Zeitschrift fur Kristallographie 205 (1993) 99-113
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Locality: synthetic
_database_code_amcsd 0019827
12.0275 6.9312 12.6919 90 90.18 90 I2
atom     x     y     z
Ca1      0 .4553     0
Ca2      0 .4553    .5
Ca3  .2724 .2724 .1667
Ca4  .7276 .2724 .3333
S1   .7248 .2752 .0833
S2       0 .4496   .25
S3   .2752 .2752 .4167
O1   .1291  .726 .0173
O2   .1291  .726 .5173
O3   .2985 .4435 .8507
O4   .2985 .4435 .3507
O5   .0725 .3306  .184
O6   .0725 .3306  .684
O7   .2538 .6185 .1556
O8   .2538 .6185 .6556
O9   .1824 .3102 .9889
O10  .1824 .3102 .4889
O11  .0639 .5714 .8222
O12  .0639 .5714 .3222
Ow1     .5 .5985     0
Ow2  .5493 .4508 .3333
H1    .428  .671     0
H2     .55  .307  .333
H3    .621  .523  .333
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
Abriel W, Nesper R
Download zk/vol205/ZK205_99.pdf
Zeitschrift fur Kristallographie 205 (1993) 99-113
Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit
Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen
Locality: synthetic
_database_code_amcsd 0019828
6.937 6.937 6.345 90 90 120 P3_121
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .5447     0   5/6      .0331  .0162  .0120 -.0004 -.0002  .0081
S    .5504     0   1/3      .0144  .0114  .0120  .0030  .0015  .0057
O1   .5969 .8550 .4653      .0224  .0256  .0376  .0215  .0042  .0152
O2   .3647 .8722 .1889      .0269  .0152  .0158 -.0027 -.0025 -.0012
Wat  .9015     0   5/6  .5  .0264  .0376   .179  -.027 -.0134  .0188
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: 4
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