Cubanite
Buerger M J
American Mineralogist 32 (1947) 415-425
The crystal structure of cubanite
_database_code_amcsd 0000042
6.463 11.117 6.234 90 90 90 Pcmn
atom x y z
Fe .0833 .083 .135
Cu .5833 .25 .122
S1 .9167 .25 .270
S2 .4167 .083 .265
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Cubanite
Azaroff L V, Buerger M J
American Mineralogist 40 (1955) 213-225
Refinement of the structure of cubanite, CuFe2S3
_database_code_amcsd 0000068
6.46 11.12 6.23 90 90 90 Pcmn
atom x y z
Fe .0875 .0880 .1340
Cu .5830 .25 .1270
S1 .9130 .25 .2625
S2 .4130 .0835 .2740
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Cubanite
McCammon C A, Zhang J, Hazen R M, Finger L W
American Mineralogist 77 (1992) 937-944
High-pressure crystal chemistry of cubanite, CuFe2S3
P = 0 GPa, in air
_database_code_amcsd 0001533
6.46 11.10 6.22 90 90 90 Pcmn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu .5836 .25 .1227 .00951 .00325 .00829 0 0 0
Fe .41479 .41293 .63664 .00553 .00174 .00627 -.00006 .00037 .00010
S1 .5857 .25 .7577 .00586 .00179 .00663 0 0 0
S2 .4116 .41545 .26703 .00617 .00198 .00618 -.00006 -.00043 -.00051
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Cubanite
McCammon C A, Zhang J, Hazen R M, Finger L W
American Mineralogist 77 (1992) 937-944
High-pressure crystal chemistry of cubanite, CuFe2S3
P = 0 GPa, in the cell
_database_code_amcsd 0001534
6.455 11.102 6.226 90 90 90 Pcmn
atom x y z Biso
Cu .5827 .25 .1209 1.90
Fe .4124 .4124 .6377 1.26
S1 .596 .25 .7595 1.55
S2 .4180 .4158 .2657 1.42
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Cubanite
McCammon C A, Zhang J, Hazen R M, Finger L W
American Mineralogist 77 (1992) 937-944
High-pressure crystal chemistry of cubanite, CuFe2S3
P = 1.7 GPa
_database_code_amcsd 0001535
6.404 11.010 6.158 90 90 90 Pcmn
atom x y z Biso
Cu .5834 .25 .1168 2.06
Fe .4118 .4127 .6335 1.50
S1 .596 .25 .7556 1.43
S2 .4124 .4151 .2621 1.66
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Cubanite
McCammon C A, Zhang J, Hazen R M, Finger L W
American Mineralogist 77 (1992) 937-944
High-pressure crystal chemistry of cubanite, CuFe2S3
P = 3.6 GPa
_database_code_amcsd 0001536
6.344 10.919 6.098 90 90 90 Pcmn
atom x y z Biso
Cu .5831 .25 .1114 1.67
Fe .4066 .4132 .6298 1.32
S1 .611 .25 .7503 1.67
S2 .4245 .4146 .2564 1.19
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Cubanite
Fleet M E
Zeitschrift fur Kristallographie 132 (1971) 276-287
Refinement of the crystal structure of
cubanite and polymorphism of CuFe2S3
Sample: anisotropic refinement
Note: x(S1) corrected
_database_code_amcsd 0010719
6.4679 11.1201 6.2336 90 90 90 Pcmn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu .5797 .25 .1207 .001530 .001688 .006350 0 0 0
Fe .4131 .4131 .6372 .001530 .001688 .006350 0 0 0
S1 .5692 .25 .7595 .005898 .001140 .005514 0 0 0
S2 .4027 .4137 .2667 .007912 .002497 .006852 0 0 0
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Cubanite
Fleet M E
Zeitschrift fur Kristallographie 132 (1971) 276-287
Refinement of the crystal structure of
cubanite and polymorphism of CuFe2S3
Sample: isotropic refinement
_database_code_amcsd 0010720
6.4679 11.1201 6.2336 90 90 90 Pcmn
atom x y z Biso
Cu .5792 .25 .1205 1.221
Fe .4125 .4131 .6372 .806
S1 .5693 .25 .7595 .637
S2 .4038 .4137 .2672 .837
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