(V.75Ni.25)SO4*6H2O
Kutoglu A
Zeitschrift fur Kristallographie 137 (1973) 51-66
Kristallstruktur und wasserstoffbindungen von (V1-x,Nix)SO4*6H2O
Note: isotypic with hexahydrite
_database_code_amcsd 0010742
9.890 7.241 24.157 90 98.35 90 C2/c
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
V1       0     0     0 .75 2.23  .0058  .0101  .0010  .0001 -.0002 -.0003
Ni1      0     0     0 .25 2.23  .0058  .0101  .0010  .0001 -.0002 -.0003
V2       0 .9520   .25 .75 1.84  .0048  .0089  .0008      0  .0001      0
Ni2      0 .9520   .25 .25 1.84  .0048  .0089  .0008      0  .0001      0
S    .8714 .4532 .1242     1.76  .0043  .0083  .0008  .0003 -.0001  .0001
O1   .7744 .5999 .1334      2.9  .0066  .0163  .0012  .0035  .0006  .0003
O2   .9825 .4512 .1707      3.8  .0106  .0145  .0018  .0019 -.0025 -.0004
O3   .9232 .4913 .0707      3.6  .0105  .0134  .0016  .0010  .0016  .0005
O4   .8029 .2723 .1187      3.0  .0085  .0126  .0014 -.0028 -.0002  .0005
O5   .5923 .7223 .0432      2.8  .0063  .0136  .0013  .0018 -.0005 -.0010
O6   .5294 .3398 .0701      3.4  .0090  .0146  .0016 -.0022 -.0012  .0019
O7   .3109 .5627 .0203      4.0  .0071  .0240  .0017  .0006  .0002 -.0028
O8   .3833 .6540 .2813      2.2  .0057  .0100  .0010 -.0001  .0003 -.0002
O9   .3848 .2566 .2826      2.7  .0069  .0118  .0013 -.0010  .0004  .0006
O10  .3565 .4535 .1796      2.9  .0092  .0116  .0010 -.0004 -.0007  .0000
H1    .654  .675  .076      4.1
H2    .532  .846  .045      8.1
H3    .506  .197  .066      3.6
H4    .635  .300  .089     10.9
H5    .315  .653  .059      5.9
H6    .242  .582 -.014
H7    .350  .615  .307      6.7
H8    .446  .767  .296      5.2
H9    .421  .167  .300      7.1
H10   .311  .180  .264
H11   .350  .343  .168      7.7
H12   .332  .659  .155      4.0