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Cr Cu P2 S6 |
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Maisonneuve V, Cajipe V, Payen C |
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Chemistry of Materials 5 (1993) 758-760 |
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Low-temperature neutron powder diffraction study of CuCrP2S6: |
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observation of an ordered, antipolar copper sublattice |
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_cod_database_code 1000355 |
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_database_code_amcsd 0012200 |
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5.935 10.282 13.368 90 106.78 90 Pb |
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atom x y z |
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Cu1 .071 0 .355 |
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Cu2 .441 .496 .148 |
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Cr1 0 .332 .25 |
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Cr2 .527 .830 .246 |
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P1 .079 .337 .827 |
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P2 .545 .838 .817 |
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P3 .954 .668 .154 |
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P4 .457 .837 .645 |
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S1 .725 .996 .371 |
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S2 .247 .491 .368 |
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S3 .29 .011 .625 |
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S4 .802 .491 .118 |
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S5 .288 .176 .867 |
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S6 .757 .682 .869 |
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S7 .739 .826 .115 |
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S8 .230 .684 .626 |
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S9 .261 .183 .372 |
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S10 .768 .668 .362 |
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S11 .786 .832 .627 |
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S12 .263 .688 .119 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cr Cu P2 Se6 |
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Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J |
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Journal of Alloys and Compounds 283 (1999) 122-127 |
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Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) |
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_cod_database_code 1004008 |
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_database_code_amcsd 0012821 |
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6.221 10.7702 6.935 90 107.09 90 C2 |
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atom x y z occ Biso |
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Cu1 .015 .663 .053 .5 4.8 |
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Cr1 0 .330 0 .3 |
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P1 .057 0 .168 1.3 |
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Se1 .747 .674 .253 1.60 |
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Se2 .260 .830 .249 1.60 |
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Se3 .757 .489 .747 1.60 |
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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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Cu In P2 Se6 |
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Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J |
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Journal of Alloys and Compounds 283 (1999) 122-127 |
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Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) |
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_cod_database_code 1004009 |
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_database_code_amcsd 0012822 |
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6.4024 6.4024 13.3580 90 90 120 P-3c1 |
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atom x y z occ Biso |
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Cu1 2/3 1/3 .25 .4 2. |
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Cu2 2/3 1/3 .338 .3 2. |
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In1 0 0 .25 .71 |
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P1 1/3 2/3 .1616 .04 |
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Se1 .3324 .3359 .1189 1.11 |
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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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