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Kidwellite |
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Kolitsch U |
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Mineralogical Magazine 68 (2004) 147-165 |
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The crystal structures of kidwellite and 'laubmannite', two complex fibrous |
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iron phosphates |
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Locality: Clara mine, Black Forest, Germany |
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_database_code_amcsd 0014570 |
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20.117 5.185 13.978 90 107.07 90 P2/c |
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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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Na 0 .1807 .75 .0496 .033 .088 .029 0 .012 0 |
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Fe1 -.31930 -.2542 .19789 .0080 .0079 .0075 .0094 -.0004 .0037 .0000 |
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Fe2 -.17514 -.2401 .18336 .0088 .0087 .0094 .0091 .0010 .0039 .0012 |
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Fe3 -.43127 -.0041 .96833 .0151 .0151 .0154 .0150 .0016 .0050 -.0006 |
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Fe4 -.19236 -.0145 .92828 .0131 .0125 .0140 .0136 .0007 .0048 -.0008 |
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Fe5 0 0 0 .0145 .0124 .0155 .0153 -.0010 .0035 -.0018 |
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P1 -.27367 .2432 .07103 .857 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001 |
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As1 -.27367 .2432 .07103 .143 .0088 .0091 .0087 .0096 -.0002 .0043 -.0001 |
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P2 -.10006 -.7385 .29965 .936 .0095 .0096 .0094 .0097 .0005 .0033 .0010 |
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As2 -.10006 -.7385 .29965 .064 .0095 .0096 .0094 .0097 .0005 .0033 .0010 |
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P3 -.35088 -.2392 .81893 .969 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012 |
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As3 -.35088 -.2392 .81893 .031 .0090 .0081 .0105 .0094 -.0016 .0043 -.0012 |
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CuM1 0 .5 0 .074 .018 |
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CuM2 -.4316 .509 .9672 .067 .020 |
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CuM3 -.1943 .515 .9266 .074 .016 |
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O1 -.3506 .2407 .0091 .0150 .014 .014 .016 -.001 .005 .001 |
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O2 -.2218 .2528 .0089 .0116 .011 .011 .014 .003 .005 .000 |
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O3 -.2589 -.0084 .1372 .0114 .010 .010 .015 .004 .006 .007 |
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O4 -.2575 -.5138 .1425 .0107 .007 .011 .015 .003 .004 .000 |
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O5 -.1000 -.4805 .2456 .0178 .011 .022 .022 .004 .008 .011 |
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O6 .0290 .2277 .1213 .0228 .014 .033 .020 -.001 .002 -.012 |
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O7 -.1591 -.2668 .8489 .0129 .011 .014 .014 .001 .005 -.005 |
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O8 -.1104 .0381 .2227 .0223 .020 .023 .029 -.007 .014 -.011 |
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O9 -.2813 -.1897 .8954 .0226 .011 .029 .025 -.008 .000 -.002 |
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O10 -.3550 -.4954 .2708 .0204 .019 .016 .030 .002 .014 .008 |
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O11 -.4098 -.2232 .8678 .0142 .013 .021 .011 .002 .007 -.004 |
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O12 -.3642 .0368 .2340 .0179 .018 .014 .021 .002 .007 -.009 |
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OH13 -.3916 -.2733 .0697 .0111 .010 .014 .006 -.001 -.002 .001 |
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OH14 -.1624 -.2658 .0485 .0112 .011 .012 .010 .000 .003 .002 |
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OH15 -.2189 -.2410 .3053 .0107 .016 .010 .006 .001 .003 .000 |
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OH16 -.4729 .1709 .0667 .0218 .017 .028 .026 -.001 .014 .002 |
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Wat17 -.4767 .2842 .8614 .0250 .024 .026 .022 .000 .001 .010 |
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OH18 -.0955 .1400 .9762 .0210 .014 .017 .030 .003 .004 .001 |
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OH19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009 |
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Wat19 .0278 .2856 .9185 .5 .0236 .024 .031 .021 .006 .015 .009 |
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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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