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Julienite |
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Mereiter K, Preisinger A |
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Acta Crystallographica B38 (1982) 1084-1088 |
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The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O |
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Locality: synthetic |
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_database_code_amcsd 0009760 |
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18.941 19.209 5.460 90 91.64 90 P2_1/n |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .5575 .4986 .2579 .0580 .0479 .0402 -.0021 .0026 -.0010 |
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Na2 .4947 .0553 .2459 .0603 .0506 .0373 .0032 -.0003 .0019 |
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Co .2473 .2532 .4841 .0451 .0397 .0349 .0003 .0027 -.0006 |
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S1 .4225 .2717 -.1131 .0577 .0544 .0429 -.0091 .0102 -.0024 |
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S2 .2345 .4412 .0364 .0595 .0849 .0971 -.0073 .0118 -.0521 |
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S3 .0594 .2287 -.0960 .0724 .0551 .0503 -.0083 -.0149 .0136 |
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S4 .2654 .0812 .1001 .0685 .0605 .0480 .0068 .0050 .0219 |
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C1 .3671 .2670 .1065 3.4 |
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C2 .2344 .3800 .8366 3.4 |
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C3 .1208 .2382 .1150 3.1 |
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C4 .2598 .1347 .8668 3.5 |
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N1 .3278 .2623 .2657 3.2 |
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N2 .2358 .3361 .6914 3.9 |
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N3 .1631 .2429 .2683 3.7 |
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N4 .2565 .1747 .7126 3.4 |
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Wat1 .5409 .4296 .6164 3.4 |
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Wat2 .5442 .5704 -.1048 3.6 |
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Wat3 .6342 .5727 .4949 6.1 |
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Wat4 .6274 .4192 .0404 5.8 |
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Wat5 .4353 -.0513 .3872 3.7 |
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Wat6 .4206 .0347 -.1192 3.6 |
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Wat7 .4135 .1250 .4634 4.5 |
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Wat8 .5495 .1442 .0088 5.1 |
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