American Mineralogist Crystal Structure Database

10 matching records for this search.

Retgersite
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O'Connor B H, Dale D H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=21&spage=705
Acta Crystallographica 21 (1966) 705-709
A neutron diffraction analysis of the crystal
structure of tetragonal nickel sulphate hexadeuterate
Locality: synthetic
_database_code_amcsd 0009303
6.790 6.790 18.305 90 90 90 P4_12_12
atom      x      y      z Biso
Ni    .2101  .2101      0  1.2
S     .7126  .7126      0  1.7
O4    .6226  .6191  .0648  2.7
O5    .9248  .6757 -.0003  1.9
O1    .1714 -.0489  .0518  2.3
O2    .4720  .2449  .0564  1.4
O3    .0641  .3564  .0852  1.7
D11   .0754 -.1409  .0399  2.4
D12   .2493 -.0862  .0959  2.8
D21   .5679  .1411  .0493  3.3
D22   .5423  .3686  .0565  2.2
D31  -.0115  .4675  .0681  3.0
D32  -.0178  .2733  .1155  2.3
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Retgersite
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Rousseau B, Maes S T, Lenstra A T H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7673&volume=56&spage=300
Acta Crystallographica A56 (2000) 300-307
Systematic intensity errors and model imperfection
as the consequence of spectral truncation
Locality: synthetic
_database_code_amcsd 0009334
6.782 6.782 18.274 90 90 90 P4_12_12
atom      x      y      z  Biso
Ni   .71056 .71056      0 1.120
S    .20934 .20934      0 1.300
O1    .1209  .1202 .06583  2.46
O2    .4236  .1730 .00038  2.18
Ow1   .6729  .4533 .05275  2.29
Ow2   .9704  .7446 .05613  1.76
Ow3   .5659  .8562 .08495  1.67
H1w1   .596   .373   .042   3.5
H1w2   .732   .429   .082   4.3
H2w1   .048   .663   .049   2.4
H2w2   .028   .848   .061   2.8
H3w1   .511   .944   .071   3.3
H3w2   .500   .786   .113   2.2
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Retgersite
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Stadnicka K, Glazer A M, Koralewski M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=43&spage=319
Acta Crystallographica B43 (1987) 319-325
Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate
Locality: synthetic
Note: y(O3) corrected to match reported bond lengths
_database_code_amcsd 0009810
6.783 6.783 18.2880 90 90 90 P4_12_12
atom      x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .21060 .21060     0        .0142  .0142  .0135 -.0015  .0005 -.0005
S    .70943 .70943     0        .0147  .0147  .0203 -.0006  .0014 -.0014
O4    .6209  .6203 .0658        .0478  .0221  .0242 -.0091  .0108  .0002
O5    .9237  .6731 .0003        .0170  .0248  .0418  .0058 -.0045 -.0074
O1    .1727 -.0470 .0528        .0335  .0245  .0284 -.0128 -.0125  .0123
O2    .4705  .2449 .0561        .0165  .0193  .0287 -.0005 -.0040 -.0032
O3    .0658  .3559 .0850        .0219  .0212  .0188  .0042  .0013  .0001
H11   .1097 -.1333 .0394 .0487
H12   .2215 -.0746 .0867 .0506
H21   .5702  .1559 .0507 .0504
H22   .5371  .3532 .0601 .0491
H31  -.0051  .4453 .0744 .0516
H32  -.0101  .2941 .1149 .0502
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Retgersite
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McIntyre G J, Ptasiewicz-Bak H, Olovsson I
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=46&spage=27
Acta Crystallographica B46 (1990) 27-39
Bonding deformation and superposition effects in the
electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O
Sample: neutron refinement
Note: anisoU's from ICSD
_database_code_amcsd 0009837
6.7803 6.7803 18.288 90 90 90 P4_32_12
atom      x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   -.2104 -.2104       0 .0095  .0102  .0102  .0081 -.0024 -.0015  .0015
S    -.7090 -.7090       0 .0101  .0076  .0076  .0150  .0017 -.0018  .0018
O4   -.6217 -.6205 -.06589 .0255  .0395  .0182  .0189 -.0095  .0097 -.0010
O5   -.9229 -.6725 -.00020 .0228  .0118  .0205   .036  .0036 -.0022 -.0072
O1   -.1726  .0469 -.05257 .0229  .0269   .020  .0218 -.0124 -.0117  .0119
O2   -.4701 -.2442 -.05628 .0159  .0109  .0132  .0235 -.0004 -.0040  .0000
O3   -.0655 -.3568 -.08475 .0150  .0169  .0154  .0127  .0020  .0006 -.0016
D11  -.0776  .1459 -.04018 .0272  .0237  .0224  .0354 -.0070 -.0042  .0033
D12   .7511  .0839 -.09466 .0295  .0375  .0287  .0222 -.0015 -.0071  .0064
D21   .4334 -.1433 -.04725 .0306  .0216  .0276  .0426  .0082 -.0050 -.0007
D22   .4653 -.3723 -.05872 .0254  .0208  .0236  .0317 -.0063 -.0039 -.0029
D31   .0144 -.4643 -.06653 .0296  .0286  .0262  .0339  .0106 -.0008  .0013
D32   .0160 -.2716 -.11624 .0253  .0263  .0286  .0210 -.0011  .0061  .0010
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Retgersite
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McIntyre G J, Ptasiewicz-Bak H, Olovsson I
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=46&spage=27
Acta Crystallographica B46 (1990) 27-39
Bonding deformation and superposition effects in the
electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O
Sample: X-ray refinement
_database_code_amcsd 0009838
6.7803 6.7803 18.288 90 90 90 P4_32_12
atom       x       y       z  Uiso
Ni   -.21039 -.21039       0 .0146
S    -.70910 -.70910       0 .0167
O4   -.61965  .37988 -.06604 .0318
O5   -.92339  .32770 -.00050 .0287
ODw1 -.17284  .04673 -.05278 .0301
ODw2 -.47011 -.24399 -.05617 .0225
ODw3 -.06596  .64363 -.08493 .0213
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Retgersite
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Ptasiewicz-Bak H, Olovsson I, McIntyre G J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=192
Acta Crystallographica B49 (1993) 192-201
Bonding deformation and superposition in the
electron density of tetragonal NiSO4*6H2O at 25K
Sample: T = 25 K, neutron refinement
Note: anisoU's from ICSD
_database_code_amcsd 0009870
6.7778 6.7778 18.176 90 90 90 P4_32_12
atom       x       y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   -.21245 -.21245       0 .0027  .0028  .0028  .0025 -.0003  .0000  .0000
S    -.70911 -.70911       0 .0030  .0028  .0028  .0035 -.0003  .0003 -.0003
O4   -.61859 -.62248 -.06655 .0058  .0071  .0052  .0050 -.0013  .0022  .0003
O5   -.92505 -.67228 -.00159 .0053  .0032  .0053  .0073  .0007 -.0004 -.0004
O1   -.17388  .04476 -.05344 .0068  .0081  .0056  .0067 -.0024 -.0022  .0021
O2   -.47243 -.24605 -.05701 .0056  .0047  .0057  .0064 -.0001 -.0012 -.0007
O3   -.06757 -.35978 -.08493 .0052  .0057  .0051  .0050  .0005  .0003 -.0004
H11   .92220  .14593 -.04112 .0206  .0193  .0172  .0252 -.0067 -.0052  .0008
H12   .74951  .08165 -.09621 .0212  .0254  .0232  .0149 -.0010 -.0084  .0057
H21  -.57037 -.14552 -.05730 .0222  .0163  .0197  .0306  .0087 -.0001 -.0033
H22   .46394  .62418 -.05963 .0199  .0201  .0138  .0258 -.0049 -.0010 -.0022
H31   .01042  .53081 -.06586 .0202  .0219  .0163  .0223  .0078 -.0004  .0038
H32   .01639  .72461 -.11639 .0191  .0187  .0191  .0194 -.0037  .0056  .0039
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Retgersite
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Ptasiewicz-Bak H, Olovsson I, McIntyre G J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=49&spage=192
Acta Crystallographica B49 (1993) 192-201
Bonding deformation and superposition in the
electron density of tetragonal NiSO4*6H2O at 25K
Sample: T = 25 K, X-ray refinement
_database_code_amcsd 0009871
6.7778 6.7778 18.176 90 90 90 P4_32_12
atom       x       y       z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ni   -.21263 -.21263       0 .0034 .00340 .00340 .00330 -.00027 -.00006  .00006
S    -.70930 -.70930       0 .0036 .00342 .00342 .00400  .00001  .00021 -.00021
O4   -.61859 -.62253 -.06657 .0069  .0056  .0057  .0081   .0001  -.0008  -.0009
O5   -.92513 -.67304 -.00160 .0064  .0065  .0064  .0056   .0007   .0005   .0002
ODw1 -.17382  .04447 -.05339 .0081  .0091  .0071  .0080  -.0028  -.0029   .0024
ODw2 -.47239 -.24597 -.05710 .0064  .0090  .0064  .0054  -.0011   .0022   .0006
ODw3 -.06753 -.35981 -.08595 .0061  .0039  .0066  .0089   .0009   .0000  -.0004
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Retgersite
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Angel R J,Finger L W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=44&spage=1869
Acta Crystallographica C44 (1988) 1869-1873
Polymorphism of nickel sulfate hexahydrate
Locality: synthetic
_database_code_amcsd 0010072
6.780 6.780 18.2850 90 90 90 P4_12_12
atom     x      y     z Biso
Ni   .2105  .2105     0 1.04
S    .7093  .7093     0 1.26
O4   .6211  .6204 .0659  2.4
O5   .9232  .6733 .0002 2.11
O1   .1727 -.0475 .0528 2.17
O2   .4705  .2451 .0561 1.69
O3   .0658  .3559 .0851 1.56
H11   .110  -.134  .039 4.30
H12   .232  -.065  .088  3.2
H21   .546   .158  .049  2.4
H22   .525   .352  .063  3.3
H31   .020   .440  .072  2.7
H32  -.010   .280  .115  3.5
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Retgersite
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Beevers C A, Lipson H
Download zk/vol83/ZK83_123.pdf
Zeitschrift fur Kristallographie 83 (1932) 123-135
The crystal structure of nickel sulphate hexahydrate NiSO4 * 6H2O
Locality: synthetic
_database_code_amcsd 0010508
6.80 6.80 18.3 90 90 90 P4_12_12
atom   x   y    z
Ni   .71 .71    0
S    .21 .21    0
O1   .12 .12 .068
O2   .43 .17    0
Wat1 .67 .45 .054
Wat2 .97 .75 .054
Wat3 .56 .86 .077
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Retgersite
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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)
_database_code_amcsd 0015590
6.785 6.785 18.288 90 90 90 P4_12_12
atom      x      y     z  Biso
Ni   .21043 .21043     0 1.088
S     .7097  .7097     0  1.26
O1    .6216  .6218 .0658  2.53
O2    .9232  .6732     0  2.10
Ow1   .1728 -.0463 .0528  2.20
Ow2   .4705  .2448 .0561  1.82
Ow3   .0648  .3558 .0850  1.70
H11    .075  -.141  .040     3
H12    .249  -.086  .096     3
H21    .568   .141  .049     3
H22    .542   .369  .056     3
H31   -.012   .468  .068     4
H32   -.018   .273  .116     2
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Total number of retrieved datasets: 10
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