American Mineralogist Crystal Structure Database

1 matching records for this search.

Julienite
Download hom/julienite.pdf
Mereiter K, Preisinger A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=1084
Acta Crystallographica B38 (1982) 1084-1088
The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O
Locality: synthetic
_database_code_amcsd 0009760
18.941 19.209 5.460 90 91.64 90 P2_1/n
atom     x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .5575  .4986  .2579       .0580  .0479  .0402 -.0021  .0026 -.0010
Na2  .4947  .0553  .2459       .0603  .0506  .0373  .0032 -.0003  .0019
Co   .2473  .2532  .4841       .0451  .0397  .0349  .0003  .0027 -.0006
S1   .4225  .2717 -.1131       .0577  .0544  .0429 -.0091  .0102 -.0024
S2   .2345  .4412  .0364       .0595  .0849  .0971 -.0073  .0118 -.0521
S3   .0594  .2287 -.0960       .0724  .0551  .0503 -.0083 -.0149  .0136
S4   .2654  .0812  .1001       .0685  .0605  .0480  .0068  .0050  .0219
C1   .3671  .2670  .1065  3.4
C2   .2344  .3800  .8366  3.4
C3   .1208  .2382  .1150  3.1
C4   .2598  .1347  .8668  3.5
N1   .3278  .2623  .2657  3.2
N2   .2358  .3361  .6914  3.9
N3   .1631  .2429  .2683  3.7
N4   .2565  .1747  .7126  3.4
Wat1 .5409  .4296  .6164  3.4
Wat2 .5442  .5704 -.1048  3.6
Wat3 .6342  .5727  .4949  6.1
Wat4 .6274  .4192  .0404  5.8
Wat5 .4353 -.0513  .3872  3.7
Wat6 .4206  .0347 -.1192  3.6
Wat7 .4135  .1250  .4634  4.5
Wat8 .5495  .1442  .0088  5.1
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