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