Beevers C A, Schwartz C M
Zeitschrift fur Kristallographie 91 (1935) 157-169
The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O
Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133
Note: all atoms shifted .25, 0, 0
11.82 12.02 6.81 90 90 90 P2_12_12_1
atom x y z
Ni .420 .110 .04
S .725 .185 .49
O1 .69 .08 .37
O2 .86 .19 .48
O3 .69 .19 .69
O4 .68 .28 .37
Ow5 .26 .17 .01
Ow6 .46 .25 .19
Ow7 .46 .18 -.21
Ow8 .57 .04 .05
Ow9 .36 -.04 -.09
Ow10 .36 .03 .29
Ow11 .48 .44 -.07
H1 .25 .23 .11
H2 .21 .19 -.10
H3 .40 .29 .27
H4 .53 .25 .27
H5 .43 .23 -.32
H6 .54 .18 -.23
H7 .62 .07 .16
H8 .59 -.04 .04
H9 .42 -.05 -.18
H10 .34 -.12 -.05
H11 .40 0 .40
H12 .28 .03 .33
H13 .47 .38 .03
H14 .42 .49 -.04
Iskhakova L D, Dubrovinskii L S, Charushnikova I A
Soviet Physics Crystallography 36 (1991) 360-363
Crystal structure, theoretical parameters of potential of atomic interaction
(PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6)
Locality: synthetic
11.768 12.021 6.758 90 90 90 P2_12_12_1
atom x y z Biso
Ni .42091 .10441 .04118 1.231
S .72614 .18357 .4911 1.33
O1 .6843 .0751 .4263 2.76
O2 .8511 .1873 .4820 2.37
O3 .6892 .2060 .6934 2.33
O4 .6789 .2714 .3610 2.03
Ow1 .2601 .1661 .0043 2.15
Ow2 .4689 .2483 .1898 1.84
Ow3 .4675 .1685 -.2254 2.27
Ow4 .5830 .0458 .0752 2.63
Ow5 .3722 -.0389 -.1072 1.91
Ow6 .3659 .0377 .3004 2.61
Ow7 .4891 .4357 .9301 2.55
H11 .229 .208 .103 3
H12 .234 .207 -.120 3
H21 .421 .264 .275 3
H22 .539 .252 .243 3
H31 .420 .213 -.297 3
H32 .542 .179 -.250 3
H41 .619 .031 .200 3
H42 .582 -.026 .014 4
H51 .367 -.081 .014 4
H52 .404 -.090 -.196 3
H61 .287 .052 .333 3
H62 .392 -.003 .416 4
H71 .415 .460 .936 4
H72 .482 .362 -.010 4
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