American Mineralogist Crystal Structure Database

1 matching records for this search.

Kambaldaite
Download hom/kambaldaite.pdf
Engelhardt L M, Hall S R, White A H
Download am/vol70/AM70_423.pdf
American Mineralogist 70 (1985) 423-427
Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6
Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints
_database_code_amcsd 0000983
10.340 10.340 6.097 90 90 120 P6_3
atom     x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na       0      0  .3745       .0211  .0211  .0133 .01055      0      0
Ni1  .5126 -.0019    .25       .0072  .0053  .0067  .0020  .0005  .0001
Ni2    2/3    1/3  .6374       .0059  .0059  .0079 .00295      0      0
C    .7796  .2172   .008        .003   .007   .008  .0020  .0000  .0010
O1   .7324  .1386  .1801        .005   .009   .010  .0000  .0000  .0020
O2   .7015  .1836 -.1705        .008   .010   .007  .0040 -.0020  .0000
O3   .9129  .3343   .007        .005   .009   .009  .0020  .0000  .0010
O4   .5188  .1377  .4873        .010   .006   .006  .0060 -.0010 -.0010
H1    .467   .159   .433 .015
O5   .0998  .1948  .1233        .020   .016   .037  .0080  .0000  .0000
H2    .081   .237   .107 .022
H3     .17   .234   .179 .022
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