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Domerockite |
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Elliott P, Kolitsch U, Willis A C, Libowitzky E |
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Mineralogical Magazine 77 (2013) 509-522 |
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Description and crystal structure of domerockite, Cu4(AsO4)(AsO3OH)(OH)3*H2O |
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a new mineral from the Dome Rock mine, South Australia |
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Locality: Dome Rock mine, South Australia |
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_database_code_amcsd 0020093 |
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5.378 8.962 9.841 75.26 83.56 79.97 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .2346 .50780 .25502 .99 .0163 .0171 .0186 .0123 .0005 -.0003 -.0067 |
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Zn1 .2346 .50780 .25502 .01 .0163 .0171 .0186 .0123 .0005 -.0003 -.0067 |
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Cu2 0 .5 0 .99 .0173 .0190 .0217 .0114 -.0008 .0000 -.0092 |
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Zn2 0 .5 0 .01 .0173 .0190 .0217 .0114 -.0008 .0000 -.0092 |
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Cu3 .5 .5 .5 .99 .0180 .0187 .0218 .0133 .0000 -.0004 -.0091 |
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Zn3 .5 .5 .5 .01 .0180 .0187 .0218 .0133 .0000 -.0004 -.0091 |
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Cu4 .8647 .89452 .12655 .99 .0200 .0195 .0195 .0159 .0024 .0028 -.0019 |
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Zn4 .8647 .89452 .12655 .01 .0200 .0195 .0195 .0159 .0024 .0028 -.0019 |
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Cu5 .6054 .99330 .63698 .99 .0184 .0177 .0218 .0146 -.0040 -.0005 -.0009 |
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Zn5 .6054 .99330 .63698 .01 .0184 .0177 .0218 .0146 -.0040 -.0005 -.0009 |
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H4 .82 .87 .824 .91 .05 |
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As1 .39852 .74792 -.04397 .98 .0168 .0174 .0172 .0147 -.0012 .0018 -.0048 |
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P1 .39852 .74792 -.04397 .01 .0168 .0174 .0172 .0147 -.0012 .0018 -.0048 |
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Si1 .39852 .74792 -.04397 .01 .0168 .0174 .0172 .0147 -.0012 .0018 -.0048 |
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As2 .91275 .75427 .45714 .98 .0165 .0167 .0171 .0142 -.0007 .0012 -.0042 |
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P2 .91275 .75427 .45714 .01 .0165 .0167 .0171 .0142 -.0007 .0012 -.0042 |
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Si2 .91275 .75427 .45714 .01 .0165 .0167 .0171 .0142 -.0007 .0012 -.0042 |
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O1 .6940 .7452 -.0061 .0199 .020 .019 .021 -.005 .002 -.005 |
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O2 .3873 .7611 -.2179 .0215 .027 .021 .018 -.005 .000 -.007 |
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O3 .2722 .5885 .0502 .0187 .018 .019 .018 .000 -.001 -.009 |
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O4 .2002 .8987 .0101 .0184 .018 .017 .018 .000 .002 -.003 |
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O5 .9953 .7407 .2917 .0185 .020 .019 .013 -.002 .001 .000 |
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O6 .1728 .7529 .5390 .0218 .017 .025 .022 -.003 -.002 -.006 |
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O7 .7050 .9172 .4645 .0195 .019 .021 .017 -.006 .000 -.001 |
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O8 .7687 .5999 .5447 .0202 .024 .020 .014 .004 -.004 -.008 |
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OOH9 .5264 .5782 .2998 .0168 .017 .020 .014 -.004 -.001 -.004 |
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OOH10 -.0521 .4282 .2067 .0178 .021 .020 .013 -.002 .001 -.011 |
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OOH11 .5294 .9030 .2168 .0208 .022 .028 .012 -.005 .000 -.005 |
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Wat12 .9021 .8875 .7360 .0217 .022 .028 .014 -.001 .001 -.007 |
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H1 .49 .684 .302 .05 |
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H2 -.217 .466 .233 .05 |
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H3 .43 .93 .13 .05 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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