American Mineralogist Crystal Structure Database

5 matching records for this search.

Chalcopyrite
Download hom/chalcopyrite.pdf
Knight K S, Marshall W G, Zochowski S W
 
The Canadian Mineralogist 49 (2011) 1015-1034
The low-temperature and high-pressure thermoelastic and
structural properties of chalcopyrite, CuFeS2
T = 300 K
Locality: Palabora mine, South Africa
_database_code_amcsd 0018622
5.2900 5.2900 10.4217 90 90 90 I-42d
atom     x   y    z  Uiso
Cu       0   0    0 .0161
Fe       0   0   .5 .0097
S    .2604 .25 .125 .0084
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View JMOL 3-D Structure (permalink)
 
Chalcopyrite
Download hom/chalcopyrite.pdf
Knight K S, Marshall W G, Zochowski S W
 
The Canadian Mineralogist 49 (2011) 1015-1034
The low-temperature and high-pressure thermoelastic and
structural properties of chalcopyrite, CuFeS2
T = 4.2 K
Locality: Palabora mine, South Africa
_database_code_amcsd 0018623
5.28563 5.28563 10.41917 90 90 90 I-42d
atom     x   y    z  Uiso
Cu       0   0    0 .0048
Fe       0   0   .5 .0049
S    .2529 .25 .125 .0053
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chalcopyrite
Download hom/chalcopyrite.pdf
Hall S R, Stewart J M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=29&spage=579
Acta Crystallographica B29 (1973) 579-585
The crystal structure refinement of chalcopyrite, CuFeS2
_database_code_amcsd 0009476
5.289 5.289 10.423 90 90 90 I-42d
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    0  .0184  .0184  .0197      0      0      0
Fe       0   0   .5  .0117  .0117  .0118      0      0      0
S    .2574 .25 .125  .0113  .0132  .0136      0      0  .0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chalcopyrite
Download hom/chalcopyrite.pdf
Pauling L, Brockway L
 
Zeitschrift fur Kristallographie 82 (1932) 188-194
The Crystal Structure of Chalkopyrite Cu Fe S2
_cod_database_code 1010940
_database_code_amcsd 0017661
5.24 5.24 10.3 90 90 90 I-42d
atom   x   y    z
Cu1    0   0    0
Fe1    0   0   .5
S1   .27 .25 .125
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chalcopyrite
Download hom/chalcopyrite.pdf
Burdick C, Ellis J
 
Journal of the American Chemical Society 39 (1917) 2519-2525
The Crystal Structure of Chalcopyrite Determined by X-Rays
_cod_database_code 1010929
_database_code_amcsd 0017651
5.228 5.228 5.228 90 90 90 F-43m
atom   x   y   z occ
Cu1    0   0   0  .5
Fe1    0   0   0  .5
S1   .25 .25 .25
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: 5
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