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Chalcocite |
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Tomeoka K, Ohmasa M |
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American Mineralogist 67 (1982) 360-372 |
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The modulated structure of cubic Cu9BiS6 |
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the alpha phase |
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_database_code_amcsd 0000864 |
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5.563 5.563 5.563 90 90 90 Fm3m |
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atom x y z occ Biso |
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Bi .5 .5 .5 .138 4.86 |
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Cu1 .2787 .2787 .2787 .109 1.59 |
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Cu2 .3333 .3333 .3333 .059 2.47 |
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S 0 0 0 1.45 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Chalcocite |
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Will G, Hinze E, Abdelrahman A R M |
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European Journal of Mineralogy 14 (2002) 591-598 |
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Crystal structure analysis and refinement of digenite, Cu1.8S, in the |
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temperature range 20 to 500 C under controlled sulfur partial pressure |
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Sample: T = 300 C, sometimes called high-chalcocite |
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Locality: synthetic |
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_database_code_amcsd 0006938 |
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4.033 4.033 6.739 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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S 1/3 2/3 1/4 3.0 |
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Cu1 0 0 1/4 .52 4.5 |
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Cu2 1/3 2/3 .585 .285 4.5 |
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Cu3 0 1/2 0 .162 4.5 |
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Cu4 .183 .366 1/4 .125 4.5 |
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Cu5 0 0 0 .05 4.5 |
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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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Chalcocite |
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Evans H T |
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Zeitschrift fur Kristallographie 150 (1979) 299-320 |
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The crystal structures of low chalocite and djurleite |
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Locality: Bristol Connecticut, USA |
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_database_code_amcsd 0010817 |
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15.246 11.884 13.494 90 116.35 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .8645 .2496 .2927 .025 .018 .030 -.003 .018 -.002 |
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Cu2 .6171 .0740 .6765 .030 .018 .035 .008 .024 .006 |
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Cu3 .6102 .0916 .1677 .020 .024 .033 -.001 .017 .000 |
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Cu4 .3628 .2400 .0731 .024 .018 .025 -.001 .015 -.002 |
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Cu5 .1276 .0849 .9451 .036 .020 .035 .006 .013 .000 |
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Cu6 .1065 .0783 .4429 .021 .024 .027 .002 .012 .000 |
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Cu7 .9345 .1233 .9923 .034 .041 .022 -.007 .020 -.005 |
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Cu8 .9414 .1412 .5099 .031 .025 .027 -.005 .014 -.003 |
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Cu9 .7615 .2504 .4109 .045 .024 .030 -.001 .029 .001 |
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Cu10 .4429 .1477 .9348 .023 .026 .037 -.001 .020 .003 |
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Cu11 .4254 .1229 .4388 .032 .022 .020 -.006 .015 -.001 |
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Cu12 .2578 .2357 .8507 .041 .028 .022 .008 .021 -.004 |
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Cu13 .8209 .0358 .6830 .032 .024 .019 .002 .014 .001 |
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Cu14 .7830 .0624 .1671 .039 .043 .023 -.009 .019 .004 |
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Cu15 .0261 .2045 .7722 .103 .059 .106 .048 .101 .060 |
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Cu16 .5026 .0795 .2834 .037 .028 .020 -.003 .019 .001 |
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Cu17 .3022 .0434 .6230 .043 .051 .023 -.021 .024 -.011 |
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Cu18 .3050 .0431 .1339 .034 .027 .021 .007 .020 -.003 |
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Cu19 .5243 .2082 .7543 .092 .048 .021 .027 .011 -.011 |
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Cu20 .9992 .0856 .2166 .054 .026 .029 .002 .030 .002 |
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Cu21 .6227 .1032 .9531 .025 .015 .034 .008 .015 .001 |
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Cu22 .7037 .1944 .5659 .038 .036 .025 .019 .024 .009 |
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Cu23 .2028 .2069 .1398 .040 .038 .020 .019 .022 .007 |
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Cu24 .1308 .0966 .6791 .030 .017 .039 .004 .017 .005 |
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S1 .9575 .0829 .8422 .018 .022 .017 .008 .010 -.002 |
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S2 .9413 .0768 .3462 .016 .010 .017 .002 .008 .001 |
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S3 .7940 .0824 .5068 .016 .011 .009 -.001 .009 -.001 |
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S4 .7917 .0817 .0060 .013 .015 .026 -.004 .015 .001 |
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S5 .4491 .0883 .6133 .020 .011 .020 -.003 .014 .003 |
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S6 .4444 .0726 .0957 .015 .022 .010 -.001 .006 .002 |
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S7 .2999 .0781 .7868 .018 .013 .023 .000 .017 -.001 |
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S8 .2843 .0832 .2869 .015 .017 .009 .005 .009 -.003 |
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S9 .6960 .2481 .7220 .014 .021 .011 .005 .004 .001 |
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S10 .5479 .2237 .4167 .010 .013 .014 .004 .004 .001 |
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S11 .1970 .2384 .4766 .014 .014 .014 -.001 .009 -.005 |
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S12 .0483 .2324 .1332 .014 .016 .017 .000 .007 .002 |
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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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Chalcocite |
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Evans H T |
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Nature Physical Science 232 (1971) 69-70 |
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Crystal structure of low chalcocite |
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Locality: Bristol, Connecticut, USA |
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_database_code_amcsd 0019202 |
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15.246 11.884 13.494 90 116.35 90 P2_1/c |
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atom x y z |
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Cu1 .8647 .2496 .2923 |
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Cu2 .6171 .0733 .6766 |
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Cu3 .6100 .0906 .1673 |
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Cu4 .3627 .2392 .0743 |
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Cu5 .1283 .0858 .9452 |
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Cu6 .1060 .0789 .4422 |
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Cu7 .9340 .1228 .9916 |
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Cu8 .9413 .1413 .5094 |
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Cu9 .7617 .2505 .4112 |
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Cu10 .4431 .1488 .9352 |
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Cu11 .4259 .1235 .4390 |
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Cu12 .2581 .2355 .8512 |
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Cu13 .8212 .0360 .6834 |
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Cu14 .7832 .0623 .1673 |
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Cu15 .0264 .2044 .7726 |
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Cu16 .5020 .0800 .2837 |
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Cu17 .3030 .0434 .6232 |
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Cu18 .3050 .0431 .1343 |
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Cu19 .5251 .2085 .7543 |
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Cu20 .9994 .0854 .2174 |
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Cu21 .6229 .1043 .9537 |
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Cu22 .7034 .1939 .5653 |
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Cu23 .2028 .2082 .1405 |
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Cu24 .1307 .0963 .6792 |
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S1 .9570 .0847 .8420 |
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S2 .9399 .0774 .3457 |
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S3 .7924 .0827 .5068 |
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S4 .7918 .0830 .0054 |
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S5 .4495 .0873 .6140 |
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S6 .4444 .0721 .0948 |
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S7 .3020 .0776 .7881 |
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S8 .2834 .0817 .2865 |
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S9 .6972 .2482 .7223 |
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S10 .5479 .2244 .4168 |
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S11 .1960 .2384 .4752 |
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S12 .0475 .2323 .1338 |
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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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