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