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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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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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View JMOL 3-D Structure
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Heklaite |
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Fischer J, Kramer V |
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Materials Research Bulletin 26 (1991) 925-930 |
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Crystal structure of KNaSiF_6_ |
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Locality: synthetic |
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_database_code_amcsd 0014361 |
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9.3246 5.4992 9.7892 90 90 90 Pnma |
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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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K .5136 .25 .1798 .0316 .0277 .0216 0 .0028 0 |
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Na .3718 .25 .5596 .0364 .0232 .0279 0 .0025 0 |
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Si .2290 .25 .9206 .0192 .0162 .0191 0 .0009 0 |
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F1 .3274 .4660 .9941 .0660 .0350 .0527 -.0218 -.0219 .0020 |
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F2 .1254 .0367 .8548 .0892 .0543 .0658 -.0364 -.0381 -.0016 |
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F3 .1244 .25 .0601 .0480 .1252 .0426 0 .0260 0 |
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F4 .3313 .25 .7843 .0690 .1162 .0342 0 .0261 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
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