American Mineralogist Crystal Structure Database

2 matching records for this search.

Kobyashevite
 
Strandberg H, Langer V, Johansson L G
 
Acta Chemica Scandinavica 49 (1995) 5-10
Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper
Locality: synthetic
_database_code_amcsd 0018667
6.064 11.012 5.490 102.68 92.43 92.06 P-1
atom     x      y     z Biso
Cu1      0      0     0   .8
Cu2     .5      0     0   .8
Cu3  .7510 -.0028 .5044  .79
Cu4     .5     .5     0  1.2
S    .8234  .2777 .2869   .8
O1    .768   .145  .245   .9
O2    .965   .296  .087  1.2
O3    .621   .345  .278  1.1
O4    .938   .321  .531  1.4
OH1   .736  -.093  .834  1.4
OH2   .501   .084  .707   .5
OH3   .006   .081  .711  1.1
Wat1  .225   .492  .148  1.5
Wat2  .388   .361 -.296  1.6
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Kobyashevite
 
Pekov I V, Zubkova N V, Yapaskurt V O, Belakovskiy D I, Chukanov N V, Kasatkin A V,
Kuznetsov A M, Pushcharovsky D Y
 
Mineralogy and Petrology 107 (2013) 201-210
Kobyashevite, Cu5(SO4)2(OH)6*4H2O, a new devilline-group mineral from the Vishnevye
Mountains, South Urals, Russia
Locality: Kapitalnaya mine, South Urals, Russia
_database_code_amcsd 0020496
6.0731 11.0597 5.5094 102.883 92.348 92.597 P-1
atom      x       y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1       0       0      0  .0147  .0104  .0232  .0105 -.0008  .0013  .0039
Cu2      .5       0      0  .0153  .0103  .0235  .0125  .0013  .0033  .0044
Cu3  .75095 -.00256 .50483 .01379  .0083  .0217  .0111  .0000  .0018  .0031
Cu4      .5      .5      0  .0306  .0229  .0261  .0355 -.0078  .0141 -.0090
S1   .82222  .27673  .2863  .0178  .0181  .0150  .0197  .0012  .0051  .0019
O1    .7350  -.0911  .8362  .0148  .0137   .016  .0152 -.0001  .0005  .0051
H1     .713  -.1710   .838   .014
O2    .5030   .0829  .7097  .0150  .0143   .018  .0133 -.0004 -.0001  .0040
H2     .512   .1660   .744   .014
O3    .0089   .0791  .7108  .0133  .0102   .015  .0134  .0006  .0017  .0004
H3    -.009   .1599   .758   .014
O4    .7673   .1421  .2472  .0168  .0152   .015  .0210  .0008  .0028  .0049
O5    .9675   .2970  .0928  .0277  .0334   .023  .0260 -.0046  .0188  .0030
O6    .6184   .3422  .2754  .0313  .0285   .029   .039  .0134  .0093  .0101
O7    .9387   .3213  .5325  .0274  .0253   .030  .0217  .0039  .0011 -.0064
O8    .2281   .4931  .1509  .0350   .027   .020   .051 -.0081  .0217  -.007
H81    .139    .424   .122   .026
H82    .165    .555   .252    .09
O9    .3910   .3624  .7086  .0248  .0149   .029   .028 -.0029  .0075  .0010
H91    .249    .365   .663   .052
H92    .488    .390   .613    .09
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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Total number of retrieved datasets: 2
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