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Morenosite |
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Beevers C A, Schwartz C M |
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Zeitschrift fur Kristallographie 91 (1935) 157-169 |
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The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O |
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Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133 |
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Note: all atoms shifted .25, 0, 0 |
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_database_code_amcsd 0010551 |
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11.82 12.02 6.81 90 90 90 P2_12_12_1 |
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atom x y z |
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Ni .420 .110 .04 |
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S .725 .185 .49 |
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O1 .69 .08 .37 |
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O2 .86 .19 .48 |
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O3 .69 .19 .69 |
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O4 .68 .28 .37 |
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Ow5 .26 .17 .01 |
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Ow6 .46 .25 .19 |
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Ow7 .46 .18 -.21 |
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Ow8 .57 .04 .05 |
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Ow9 .36 -.04 -.09 |
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Ow10 .36 .03 .29 |
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Ow11 .48 .44 -.07 |
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H1 .25 .23 .11 |
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H2 .21 .19 -.10 |
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H3 .40 .29 .27 |
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H4 .53 .25 .27 |
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H5 .43 .23 -.32 |
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H6 .54 .18 -.23 |
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H7 .62 .07 .16 |
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H8 .59 -.04 .04 |
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H9 .42 -.05 -.18 |
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H10 .34 -.12 -.05 |
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H11 .40 0 .40 |
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H12 .28 .03 .33 |
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H13 .47 .38 .03 |
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H14 .42 .49 -.04 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Morenosite |
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Beevers C, Schwartz C |
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Zeitschrift fur Kristallographie 91 (1935) 157-169 |
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The crystal structure of nickel sulphate heptahydrate Ni S O4 (H2 O)7 |
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_cod_database_code 1011297 |
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_database_code_amcsd 0018144 |
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11.86 12.08 6.81 90 90 90 P2_12_12_1 |
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atom x y z |
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Ni1 .42 .11 .04 |
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S1 .725 .185 .49 |
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O1 .69 .08 .43 |
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O2 .86 .19 .48 |
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O3 .69 .19 .69 |
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O4 .68 .28 .37 |
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O5 .26 .17 .01 |
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O6 .46 .25 .19 |
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O7 .46 .18 -.21 |
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O8 .57 .04 .05 |
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O9 .36 -.04 -.09 |
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O10 .36 .03 .29 |
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O11 .48 .44 -.07 |
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H1 .25 .23 .11 |
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H2 .21 .19 -.1 |
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H3 .4 .29 .27 |
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H4 .53 .25 .27 |
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H5 .43 .23 -.32 |
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H6 .54 .18 -.23 |
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H7 .62 .07 .16 |
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H8 .59 -.04 .04 |
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H9 .42 -.05 -.18 |
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H10 .34 -.12 -.05 |
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H11 .4 0 .4 |
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H12 .28 .03 .33 |
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H13 .47 .38 .03 |
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H14 .42 .49 -.04 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Morenosite |
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Iskhakova L D, Dubrovinskii L S, Charushnikova I A |
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Soviet Physics Crystallography 36 (1991) 360-363 |
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Crystal structure, theoretical parameters of potential of atomic interaction |
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(PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6) |
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Locality: synthetic |
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_database_code_amcsd 0015589 |
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11.768 12.021 6.758 90 90 90 P2_12_12_1 |
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atom x y z Biso |
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Ni .42091 .10441 .04118 1.231 |
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S .72614 .18357 .4911 1.33 |
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O1 .6843 .0751 .4263 2.76 |
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O2 .8511 .1873 .4820 2.37 |
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O3 .6892 .2060 .6934 2.33 |
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O4 .6789 .2714 .3610 2.03 |
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Ow1 .2601 .1661 .0043 2.15 |
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Ow2 .4689 .2483 .1898 1.84 |
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Ow3 .4675 .1685 -.2254 2.27 |
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Ow4 .5830 .0458 .0752 2.63 |
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Ow5 .3722 -.0389 -.1072 1.91 |
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Ow6 .3659 .0377 .3004 2.61 |
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Ow7 .4891 .4357 .9301 2.55 |
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H11 .229 .208 .103 3 |
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H12 .234 .207 -.120 3 |
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H21 .421 .264 .275 3 |
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H22 .539 .252 .243 3 |
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H31 .420 .213 -.297 3 |
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H32 .542 .179 -.250 3 |
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H41 .619 .031 .200 3 |
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H42 .582 -.026 .014 4 |
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H51 .367 -.081 .014 4 |
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H52 .404 -.090 -.196 3 |
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H61 .287 .052 .333 3 |
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H62 .392 -.003 .416 4 |
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H71 .415 .460 .936 4 |
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H72 .482 .362 -.010 4 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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