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Cornwallite |
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Arlt T, Armbruster T |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1999 (1999) 468-480 |
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Single-crystal X-ray structure refinement of cornwallite, Cu5(AsO4)2(OH)4: |
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A comparison with its polymorph cornubite and the (PO4)-analogue pseudomalachite |
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Locality: Clara mine, Oberwolfach, Black Forest, Germany |
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Note: Biso for O2 and O4 switched to match calculated values |
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_database_code_amcsd 0014901 |
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4.600 5.757 17.380 90 91.87 90 P2_1/c |
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atom x y z occ 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 0 0 1.12 .0134 .0123 .0171 .0010 .0036 .0029 |
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Cu2 .95409 .01993 .41501 1.00 .0138 .0149 .0092 .0049 -.0014 .0007 |
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Cu3 .00471 .18503 .24666 .92 .0140 .0071 .0134 -.0016 -.0064 .0015 |
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As .47804 .41593 .36777 .9 .72 .0075 .0102 .0096 .0003 -.0017 -.0004 |
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P .47804 .41593 .36777 .1 .72 .0075 .0102 .0096 .0003 -.0017 -.0004 |
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O1 .2843 .3372 .4436 1.11 .013 .015 .015 -.001 .006 .000 |
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O2 .6881 .1869 .3485 1.16 .015 .016 .014 .007 .002 -.001 |
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O3 .2476 .4344 .2899 .91 .013 .005 .016 -.001 -.007 -.001 |
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O4 .6692 .6566 .3791 1.8 .021 .017 .030 -.008 -.002 .000 |
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O5 .8292 .3200 .0127 1.04 .010 .013 .016 -.002 .001 .000 |
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O6 .1551 .9367 .3167 .79 .010 .008 .011 .002 -.004 .001 |
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H5 .637 .297 .015 3.95 |
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H6 .349 .924 .323 3.95 |
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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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