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Grischunite |
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Bianchi R, Pilati T, Mannucci G |
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American Mineralogist 72 (1987) 1225-1229 |
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Crystal structure of grischunite |
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Locality: the old manganese mine, Falotta, Graubunden, Switzerland |
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_database_code_amcsd 0001131 |
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12.855 13.487 12.047 90 90 90 Pcab |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As1 .38647 .30184 .22290 .48 .00058 .00091 .00071 -.00011 -.00004 -.00025 |
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As2 .10259 .44276 .24941 .50 .00095 .00061 .00073 .00031 -.00029 -.00004 |
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As3 .27068 .12342 .46957 .60 .00095 .00057 .00132 -.00008 -.00071 -.00005 |
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Mn1 .14943 .20588 .22049 .72 .00080 .00089 .00167 .00002 .00005 .00002 |
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Mn2 .33363 .04294 .21900 .5 .93 .00129 .00127 .00171 .00002 -.00002 -.00002 |
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Fe2 .33363 .04294 .21900 .5 .93 .00129 .00127 .00171 .00002 -.00002 -.00002 |
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Mn3 .02378 .26978 .45401 .99 .00187 .00141 .00118 -.00015 -.00001 -.00003 |
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Ca .2626 .3725 .4908 .62 .00089 .00121 .00065 -.00009 -.00010 .00006 |
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Na 0 0 0 .730 1.89 .00014 .00033 .00040 .00007 -.00012 .00052 |
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Ca 0 0 0 .121 1.89 .00014 .00033 .00040 .00007 -.00012 .00052 |
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O1 .4999 .2697 .2827 .73 .00002 .00020 .00011 -.00003 -.00009 .00005 |
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O2 .4065 .3429 .0935 .97 .00017 .00020 .00007 .00006 .00006 -.00001 |
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O3 .3140 .1989 .2119 1.23 .00010 .00013 .00036 -.00015 -.00006 -.00003 |
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O4 .3297 .3864 .3055 .89 .00010 .00019 .00010 .00002 .00008 -.00011 |
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O5 .1704 .5489 .2539 1.29 .00030 .00006 .00025 -.00007 .00004 .00009 |
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O6 .1608 .3581 .1684 .70 .00015 .00007 .00011 .00006 .00002 -.00006 |
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O7 .0929 .4040 .3807 .76 .00020 .00007 .00007 -.00004 .00008 .00001 |
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O8 -.0114 .4684 .1873 1.4 .00015 .00030 .00019 .00020 -.00011 .00002 |
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O9 .1908 .2105 .4139 .90 .00014 .00008 .00021 .00011 .00002 -.00002 |
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O10 .3632 .1906 .5373 1.3 .00015 .00022 .00019 -.00026 -.00001 -.00011 |
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O11 .2020 .0433 .5480 1.4 .00022 .00005 .00039 -.00012 -.00025 .00020 |
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O12 .3414 .0493 .3857 2.2 .00040 .00030 .00030 .00048 -.00039 -.00042 |
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O13 -.0257 .1177 .4843 1.09 .00022 .00009 .00020 .00001 .00010 .00008 |
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H1 .031 .090 .555 |
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H2 -.008 .078 .424 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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