American Mineralogist Crystal Structure Database

18 matching records for this search.

Calaverite
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Schutte W J, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=44&spage=486
Acta Crystallographica B44 (1988) 486-494
Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2
Locality: Cripple Creek, Colorado
Sample: T = 298 K
_database_code_amcsd 0009826
7.1947 4.4146 5.0703 90 90.038 90 C2/m
atom     x y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Au       0 0     0  .9  .0039  .0157  .0097      0  .0012      0
Ag       0 0     0  .1  .0039  .0157  .0097      0  .0012      0
Te   .6894 0 .2888      .0044   .114  .0093      0  .0011      0
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Calaverite
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Schutte W J, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=44&spage=486
Acta Crystallographica B44 (1988) 486-494
Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2
Locality: Cripple Creek, Colorado
Sample: T = 100 K
_database_code_amcsd 0009827
7.182 4.402 5.056 90 89.99 90 C2/m
atom     x y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Au       0 0     0  .9  .0014  .0067  .0037      0  .0005      0
Ag       0 0     0  .1  .0014  .0067  .0037      0  .0005      0
Te   .6890 0 .2888      .0016   .107  .0043      0  .0007      0
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Calaverite
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Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 0.0001 GPa
_database_code_amcsd 0009860
7.189 4.407 5.069 90 89.96 90 C2/m
atom     x y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au       0 0     0  .0152  .0205  .0139      0  .0020      0
Te   .6884 0 .2878  .0167  .0103  .0104      0  .0017      0
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View JMOL 3-D Structure (permalink)
 
Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = <0.5 GPa
_database_code_amcsd 0009861
7.189 4.407 5.069 90 89.96 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0132
Te   .6879 0 .2889  .012
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Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 0.41 GPa
_database_code_amcsd 0009862
7.171 4.385 5.064 90 90.04 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0146
Te   .6875 0 .2887  .011
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Calaverite
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Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 0.63 GPa
_database_code_amcsd 0009863
7.164 4.371 5.064 90 90.00 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0114
Te   .6871 0 .2897  .011
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View JMOL 3-D Structure (permalink)
 
Calaverite
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Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 1.63 GPa
_database_code_amcsd 0009864
7.129 4.314 5.036 90 90.15 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0132
Te   .6840 0 .2907 .0087
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Calaverite
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Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 1.78 GPa
_database_code_amcsd 0009865
7.11 4.29 5.05 90 90.3 90 C2/m
atom     x y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au       0 0     0  .0130  .0180  .0126      0  .0043      0
Te   .6832 0 .2903  .0161  .0156  .0105      0  .0051      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 1.89 GPa
_database_code_amcsd 0009866
7.100 4.286 5.029 90 90.30 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0137
Te   .6826 0 .2915 .0109
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 2.40 GPa
_database_code_amcsd 0009867
7.100 4.221 5.029 90 90.40 90 C2/m
atom     x y     z  Uiso
Au       0 0     0 .0111
Te   .6773 0 .2914  .019
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View JMOL 3-D Structure (permalink)
 
Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 3.72 GPa
_database_code_amcsd 0009868
4.100 4.100 5.021 90 90 120 P-3m1
atom    x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au      0   0     0  .0129  .0129  .0125  .0064      0      0
Te    2/3 1/3 .2919  .0144  .0144  .0128  .0072      0      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Calaverite
Download hom/calaverite.pdf
Reithmayer K, Steurer W, Schulz H, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=6
Acta Crystallographica B49 (1993) 6-11
High-pressure single-crystal structure study on calaverite, AuTe2
Locality: synthetic
Sample: P = 5.13 GPa
_database_code_amcsd 0009869
4.078 4.078 5.000 90 90 120 P-3m1
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au     0   0     0  .0117  .0117  .0074  .0059      0      0
Te   2/3 1/3 .2932  .0105  .0105  .0104  .0052      0      0
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View JMOL 3-D Structure (permalink)
 
Ag0.6NbS2
 
Van der Lee A, Wiegers A, Haange R J, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=976
Acta Crystallographica C46 (1990) 976-979
Structure of Ag0.6NbS2
_database_code_amcsd 0010144
3.354 3.354 14.431 90 90 120 P6_3/mmc
atom   x   y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag   1/3 2/3  .4801 .308   .049   .049  .0081   .098      0      0
Nb   1/3 2/3    .25       .0047  .0047  .0074  .0094      0      0
S    2/3 1/3 .14277       .0080  .0080  .0081  .0160      0      0
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View JMOL 3-D Structure (permalink)
 
TaS2
 
Meetsma A, Wiegers G A, Haange R J, de Boer J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1598
Acta Crystallographica C46 (1990) 1598-1599
Structure of 2H-TaS2
_database_code_amcsd 0010177
3.314 3.314 12.097 90 90 120 P6_3/mmc
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta     0   0   .25  .0034  .0034  .0065  .0017      0      0
S    1/3 2/3 .1212  .0048  .0048  .0068  .0024      0      0
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Tungstenite
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Schutte W J, de Boer J L, Jellinek F
 
Journal of Solid State Chemistry 70 (1987) 207-209
Crystal structures of tungsten disulfide and diselenide
Sample: 2H polytype
_database_code_amcsd 0013601
3.1532 3.1532 12.323 90 90 120 P6_3/mmc
atom   x   y     z
W1   1/3 2/3   .25
S1   1/3 2/3 .6225
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View JMOL 3-D Structure (permalink)
 
Tungstenite
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Schutte W J, de Boer J L, Jellinek F
 
Journal of Solid State Chemistry 70 (1987) 207-209
Crystal structures of tungsten disulfide and diselenide
Sample: 3R polytype
_database_code_amcsd 0013602
3.158 3.158 18.49 90 90 120 R3m
atom x y     z
W    0 0 .0000
S1   0 0 .2497
S2   0 0 .4190
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View JMOL 3-D Structure (permalink)
 
WSe2
 
Schutte W J, de Boer J L, Jellinek F
 
Journal of Solid State Chemistry 70 (1987) 207-209
Crystal structures of tungsten disulfide and diselenide
_database_code_amcsd 0013603
3.282 3.282 12.96 90 90 120 P6_3/mmc
atom   x   y     z
W    1/3 2/3   .25
Se   1/3 2/3 .6211
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View JMOL 3-D Structure (permalink)
 
Khatyrkite
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Meetsma A, de Boer J L, van Smaalen S
 
Journal of Solid State Chemistry 83 (1989) 370-372
Refinement of the crystal structure of tetragonal Al2Cu
Locality: synthetic
_database_code_amcsd 0013668
6.067 6.067 4.877 90 90 90 I4/mcm
atom     x     y   z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu       0     0 .25  .0087  .0087  .0062      0      0      0
Al   .1581 .6581   0  .0104  .0104  .0109 -.0021      0      0
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 18
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