American Mineralogist Crystal Structure Database

2 matching records for this search.

Langite
Download hom/langite.pdf
Gentsch M, Weber K
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=1309
Acta Crystallographica C40 (1984) 1309-1311
Structure of langite, Cu4[(OH)6|SO4]*2H2O
Locality: Allihies mine, County Cork, Ireland
_database_code_amcsd 0009993
7.137 6.031 11.217 90 90.00 90 Pc
atom       x      y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1        0 -.0027    .5   .8  .0150  .0086  .0085  .0006 -.0007  .0013
Cu2    .0070  .5081 .4979   .8  .0153  .0086  .0082  .0021  .0002  .0011
Cu3   -.0027  .2448 .2468   .8  .0151  .0068  .0088  .0002 -.0018  .0000
Cu4   -.0091  .7456 .2483   .8  .0129  .0067  .0091  .0004 -.0026  .0003
S      .4226  .1822 .0829  1.1  .0091  .0188  .0136 -.0001 -.0008  .0001
O1     .4803  .0476 .1861  2.1   .023   .033   .025   .003  -.006   .013
O2     .2173  .2304 .0916  1.1   .009   .015   .019   .002   .000   .013
O3     .5240  .3938 .0792  2.0   .018   .030   .026  -.011   .000  -.001
O4     .4598  .9397 .4720  2.2   .017   .038   .031  -.008   .000  -.001
O5     .1391  .7440 .0560   .9   .012   .010   .013   .000   .000   .010
O6     .8828  .5100 .6598   .9   .011   .012   .010   .000  -.001   .001
O7     .8588  .2463 .9431   .8   .010   .009   .013  -.002  -.002  -.003
O8     .1120  .0015 .3398   .9   .012   .010   .011  -.001  -.001   .002
O9     .8754  .0060 .6632   .9   .012   .007   .013   .002  -.001   .000
O10    .1112  .5040 .8372   .9   .014   .011   .008   .000  -.001  -.002
O11    .7386  .2620 .4023  1.7   .015   .019   .032   .000  -.001  -.001
O12    .4827  .5795 .3035  2.4   .022   .037   .034   .001  -.004   .003
H1      .279   .744  .060
H2      .263   .358  .133
H3      .719   .246  .943
H4      .228   .981  .383
H5      .743   .012  .171
H6      .235   .524  .326
H7      .652   .368  .369
H8      .645   .154  .426
H9      .482   .734  .264
H10     .496   .518  .229
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View JMOL 3-D Structure (permalink)
 
Langite
Download hom/langite.pdf
Galy J, Jaud J, Pulou R, Sempere R
 
Bulletin de Mineralogie 107 (1984) 641-648
Structure cristalline de la langite, Cu4[SO4(OH)6H2O]*H2O
Locality: Mazega, Aveyrone, France
_database_code_amcsd 0012082
7.118 6.034 11.209 90 90.02 90 Pc
atom       x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu1   -.0070  .4973  .0022  .0059  .0043  .0013  .0004 -.0002  .0002
Cu2        0 -.0081      0  .0068  .0032  .0010 -.0011  .0003 -.0003
Cu3   -.0157  .2459  .2504  .0048  .0036  .0014  .0000 -.0004 -.0001
Cu4   -.0096  .7449  .2490  .0060  .0036  .0014  .0000 -.0005  .0001
S      .4186  .6823  .0823  .0033  .0090  .0024 -.0002 -.0001  .0005
OH1     .139   .245  .0592  .0052  .0058  .0021  .0007  .0006  .0000
Wat2   -.267  -.759 -.0958  .0033  .0125  .0044 -.0001  .0003  .0012
OH3     .112   .497 -.1613  .0065  .0066  .0005 -.0017 -.0002  .0005
OH4    -.143  -.255 -.0563  .0055  .0044  .0011 -.0002 -.0002  .0000
O5      .215   .732  .0913  .0037  .0025  .0025 -.0011  .0008  .0000
OH6    -.126  -.504  .1635  .0056  .0018  .0017  .0009  .0005  .0004
OH7    -.119  -.009  .1592  .0015  .0060  .0016 -.0009  .0006 -.0012
OH8     .111   .006 -.1632  .0059  .0039  .0017  .0015 -.0007  .0014
O9      .519   .893  .0790  .0096  .0167  .0033 -.0080 -.0015  .0025
O10     .480   .551  .1861  .0082  .0158  .0050  .0028 -.0005  .0033
O11     .457   .562 -.0291  .0101  .0200  .0032  .0021  .0002 -.0035
Wat12   .479   .081  .3016  .0075  .0191  .0072  .0005 -.0001 -.0024
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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