Digenite
Donnay G, Donnay J D H, Kullerud G
American Mineralogist 43 (1958) 228-242
Crystal and twin structure of digenite, Cu9S5
_database_code_amcsd 0000082
16.16 16.16 16.16 13.93 13.93 13.93 R-3m
atom x y z
Cu .5 .5 .5
Cu .06 .06 .06
Cu -.06 -.06 -.06
Cu .133 .133 .133
Cu -.133 -.133 -.133
Cu .25 .25 .25
Cu -.25 -.25 -.25
Cu .35 .35 .35
Cu -.35 -.35 -.35
S 0 0 0
S .2 .2 .2
S -.2 -.2 -.2
S .4 .4 .4
S -.4 -.4 -.4
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Digenite
Morimoto N, Kullerud G
American Mineralogist 48 (1963) 110-123
Polymorphism in digenite
high-temperature form at T = 80 C
_database_code_amcsd 0000121
5.570 5.570 5.570 90 90 90 Fm3m
atom x y z occ
Cu .310 .300 .290 .0375
S 0 0 0
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Digenite
Will G, Hinze E, Abdelrahman A R M
European Journal of Mineralogy 14 (2002) 591-598
Crystal structure analysis and refinement of digenite, Cu1.8S, in the
temperature range 20 to 500 C under controlled sulfur partial pressure
Sample: T = 200 C
Locality: synthetic
_database_code_amcsd 0006937
5.589 5.589 5.589 90 90 90 Fm3m
atom x y z occ Biso
S 0 0 0 2.5
Cu1 1/4 1/4 1/4 .275 3.0
Cu3 .117 .18 .2685 .026 3.0
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Digenite
Will G, Hinze E, Abdelrahman A R M
European Journal of Mineralogy 14 (2002) 591-598
Crystal structure analysis and refinement of digenite, Cu1.8S, in the
temperature range 20 to 500 C under controlled sulfur partial pressure
Sample: T = 400 C
Locality: synthetic
_database_code_amcsd 0006939
5.593 5.593 5.593 90 90 90 Fm3m
atom x y z occ Biso
S 0 0 0 3.8
Cu1 1/4 1/4 1/4 .25 5.0
Cu2 1/2 1/2 1/2 .05 5.0
Cu3 .1134 .16 .2642 .026 5.0
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Digenite
Will G, Hinze E, Abdelrahman A R M
European Journal of Mineralogy 14 (2002) 591-598
Crystal structure analysis and refinement of digenite, Cu1.8S, in the
temperature range 20 to 500 C under controlled sulfur partial pressure
Sample: T = 500 C, sometimes called high-digenite
Locality: synthetic
_database_code_amcsd 0006940
5.639 5.639 5.639 90 90 90 Fm3m
atom x y z occ Biso
S 0 0 0 4.5
Cu1 1/4 1/4 1/4 .2575 7.0
Cu2 1/2 1/2 1/2 .095 7.0
Cu3 .1067 .166 .2826 .0289 7.0
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Digenite
Yamamoto K, Kashida S
 
Journal of Solid State Chemistry 93 (1991) 202-211
X-ray study of the average structures of Cu2Se and Cu1.8S in the
room temperature and the high temperature phases
Note: Sample: Cu1.8S (low), T = 300 K
Locality: synthetic
_database_code_amcsd 0019150
5.564 5.564 5.564 90 90 90 Fm3m
atom x y z occ Uiso
Cu1 .25 .25 .25 .52 .069
Cu2 .326 .326 .326 .10 .031
S 0 0 0 .009
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Digenite
Yamamoto K, Kashida S
 
Journal of Solid State Chemistry 93 (1991) 202-211
X-ray study of the average structures of Cu2Se and Cu1.8S in the
room temperature and the high temperature phases
Note: Sample: Cu1.8S (high), T = 393 K
Locality: synthetic
_database_code_amcsd 0019151
5.582 5.582 5.582 90 90 90 Fm3m
atom x y z occ Uiso
Cu1 .25 .25 .25 .68 .105
Cu2 .322 .322 .322 .06 .028
S 0 0 0 .008
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