American Mineralogist Crystal Structure Database

6 matching records for this search.

Bornite
Download hom/bornite.pdf
Ding Y, Veblen D R, Prewitt C T
Download am/vol90/AM90_1256.pdf
American Mineralogist 90 (2005) 1256-1264
High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a
superstructure of bornite Cu5FeS4
Sample: 4a-1 superstructure model
Note: Occupancies calculated assuming complete Cu-Fe disorder
_database_code_amcsd 0003821
21.88 21.88 21.88 90 90 90 Fm-3m
atom     x     y     z   occ Biso
Cu   .0625 .0625 .0625 .8333  2.5
Fe   .0625 .0625 .0625 .1667  2.5
Cu   .1875 .1875 .0625 .7818  2.5
Fe   .1875 .1875 .0625 .1564  2.5
Cu   .3125 .1875 .0625 .6568  2.5
Fe   .3125 .1875 .0625 .1314  2.5
Cu   .1875 .0625 .0625 .6813  2.5
Fe   .1875 .0625 .0625 .1363  2.5
Cu   .3125 .0625 .0625 .6300  2.5
Fe   .3125 .0625 .0625 .1260  2.5
Cu   .4375 .0625 .0625 .6053  2.5
Fe   .4375 .0625 .0625 .1211  2.5
Cu   .3125 .1875 .1875 .7542  2.5
Fe   .3125 .1875 .1875 .1509  2.5
Cu   .1875 .1875 .1875 .5572  2.5
Fe   .1875 .1875 .1875 .1114  2.5
S        0     0     0        1.0
S      .25     0     0        1.0
S      .25   .25     0        1.0
S     .125  .125     0        1.0
S      .25   .25   .25        1.0
S     .125   .25  .125        1.0
S       .5     0     0        1.0
S    .3750  .125     0        1.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bornite
Download hom/bornite.pdf
Ding Y, Veblen D R, Prewitt C T
Download am/vol90/AM90_1265.pdf
American Mineralogist 90 (2005) 1265-1269
Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
Sample: 2a Cu(anti) superstructure model, alternative 1
_database_code_amcsd 0003822
10.70 10.70 10.70 90 90 90 F-43m
atom    x    y    z
Cu   .125 .125 .125
Cu   .375 .125 .125
Fe   .625 .125 .125
S       0    0    0
S      .5    0    0
S     .25  .25    0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bornite
Download hom/bornite.pdf
Ding Y, Veblen D R, Prewitt C T
Download am/vol90/AM90_1265.pdf
American Mineralogist 90 (2005) 1265-1269
Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
Sample: 2a Cu(anti) superstructure model, alternative 2
_database_code_amcsd 0003823
10.70 10.70 10.70 90 90 90 F-43m
atom    x    y    z
Cu   .125 .125 .125
Cu   .375 .125 .125
Fe   .875 .125 .125
S       0    0    0
S      .5    0    0
S     .25  .25    0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bornite
Download hom/bornite.pdf
Ding Y, Veblen D R, Prewitt C T
Download am/vol90/AM90_1265.pdf
American Mineralogist 90 (2005) 1265-1269
Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
Sample: 2a CuFe(anti) superstructure model, alternative 1
Note: Energetically preferred model
_database_code_amcsd 0003824
10.71 10.71 10.71 90 90 90 F-43m
atom    x    y    z
Cu   .125 .125 .125
Cu   .625 .125 .125
Fe   .375 .125 .125
S       0    0    0
S      .5    0    0
S     .25  .25    0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bornite
Download hom/bornite.pdf
Ding Y, Veblen D R, Prewitt C T
Download am/vol90/AM90_1265.pdf
American Mineralogist 90 (2005) 1265-1269
Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4)
Sample: 2a CuFe(anti) superstructure model, alternative 2
Note: Energetically preferred model
_database_code_amcsd 0003825
10.71 10.71 10.71 90 90 90 F-43m
atom    x    y    z
Cu   .125 .125 .125
Cu   .625 .125 .125
Fe   .875 .125 .125
S       0    0    0
S      .5    0    0
S     .25  .25    0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Stolzite
Download hom/stolzite.pdf
Xu K, Xue J, Ding Y, Lu G
 
Acta Geologica Sinica 8 (1995) 111-116
Discovery of stolzite in China and refinement of its crystal structure
Locality: Yaogangxian, Hunan Province, China
_database_code_amcsd 0011974
5.44505 5.44503 12.0495 90 90 90 I4_1/a
atom     x     y     z  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
Pb       0     0    .5 .000138 .000000 .000801       0       0       0
W        0     0     0 .009672 .000000 .001523       0       0       0
O    .2637 .1137 .0706 .119963 .021598 .013782 .090943 .016086 .005081
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 6
View in amc, download in amc

Return to AMCSD Home Page