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beta-Cu7PSe6 |
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Gaudin E, Boucher F, Petricek V, Taulelle F, Evain M |
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Acta Crystallographica B56 (2000) 402-408 |
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Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type |
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ionic conductors. II. beta- and gamma-Cu7PSe6 |
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Note: T = 293 K |
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_database_code_amcsd 0009919 |
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10.1080 10.1080 10.1080 90 90 90 P2_13 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .7485 .7485 .7485 .0103 .0103 .0103 .0103 -.0002 -.0002 -.0002 |
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Se1a .87477 .87477 .87477 .0148 .0148 .0148 .0148 -.0026 -.0026 -.0026 |
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Se1b .37079 .37645 .88083 .0134 .0132 .0145 .0124 -.0026 -.0018 -.0029 |
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Se2 .23601 .23601 .23601 .0210 .0210 .021 .021 .0022 .0022 .0022 |
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Se3 .49079 .49079 .49079 .0221 .0221 .0221 .0221 .0041 .0041 .0041 |
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Cu1 .0720 -.0892 -.2696 .0463 .0316 .0495 .0579 .0003 .0025 -.0029 |
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Cu2a .0024 .0034 .2795 .68 .059 .077 .080 .0213 .005 .010 .056 |
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Cu2b .0636 .0578 .2639 .32 .032 .036 .032 .028 -.003 .004 .005 |
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Cu3 .3608 .3608 .3608 .199 .199 .199 .199 -.088 -.088 -.088 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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gamma-Cu7PSe6 |
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Gaudin E, Boucher F, Petricek V, Taulelle F, Evain M |
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Acta Crystallographica B56 (2000) 402-408 |
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Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type |
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ionic conductors. II. beta- and gamma-Cu7PSe6 |
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Note: T = 353 K |
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_database_code_amcsd 0009920 |
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10.1130 10.1130 10.1130 90 90 90 F-43m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .75 .75 .75 .0098 .0098 .0098 .0098 0 0 0 |
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Se1 .87576 .87576 .87576 .01623 .01622 .01622 .01622 -.00362 -.00362 -.00362 |
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Se2 .25 .25 .25 .0330 .0330 .033 .033 0 0 0 |
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Se3 .5 .5 .5 .0273 .0273 .0273 .0273 0 0 0 |
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Cu1 .0787 .0787 .2673 .314 .0511 .0479 .0479 .057 -.0008 -.0008 .004 |
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Cu2 .016 .016 .2757 .179 .068 .09 .09 .030 -.019 -.019 .06 |
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Cu3 .1286 .1286 .3714 .27 .243 .24 .24 .24 -.101 -.101 -.101 |
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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
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