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Roscherite |
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Fanfani L, Zanazzi P F, Zanzari A R |
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Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 169-178 |
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The crystal structure of a triclinic roscherite |
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Note: B(3,3) changed from .00848 to .00488 to match reported Biso |
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Locality: Foote Mine, North Carolina, USA |
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_database_code_amcsd 0015664 |
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15.921 11.965 6.741 91.07 94.35 89.99 C-1 |
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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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Fe3+ 0 0 .5 .42 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Al3+ 0 0 .5 .13 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Mn3+ 0 0 .5 .12 1.51 .00087 .00473 .00561 .00040 .00100 .00262 |
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Ca .0010 .2611 .2459 .96 .00085 .00211 .00488 .00025 .00107 -.00013 |
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Mn2+A .1704 .1620 -.0078 .98 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Ca2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Mg2+A .1704 .1620 -.0078 .01 .82 .00060 .00205 .00394 .00012 .00055 .00013 |
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Mn2+B .1706 -.1586 .4986 .98 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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Ca2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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Mg2+B .1706 -.1586 .4986 .01 .87 .00086 .00193 .00364 .00035 .00066 -.00027 |
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BeA .3305 .1727 .2965 .86 .00109 .00137 .00417 .00033 .00110 -.00079 |
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BeB .3332 -.1762 -.2009 .85 .00036 .00246 .00441 .00021 .00018 .00131 |
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P1A .1852 .1205 .4752 .80 .00068 .00190 .00363 .00017 .00086 -.00033 |
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P1B .1861 -.1207 -.0182 .77 .00078 .00161 .00384 .00018 .00071 -.00010 |
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P2 .0022 .2761 .7477 .77 .00063 .00193 .00336 .00015 .00077 -.00044 |
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O1A .1378 .0106 .5043 1.07 .00086 .00190 .00705 -.00018 .00057 -.00040 |
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O1B .1412 -.0073 .0100 1.16 .00157 .00171 .00545 .00049 .00129 -.00063 |
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O2A .2782 .0960 .4382 .96 .00075 .00221 .00524 .00044 .00122 .00113 |
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O2B .2798 -.1012 -.0476 1.00 .00091 .00172 .00617 .00007 .00092 -.00119 |
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O3A .1410 .1859 .3046 1.10 .00091 .00284 .00437 .00034 .00077 -.00044 |
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O3B .1417 -.1871 -.1942 1.05 .00090 .00218 .00549 -.00023 .00050 -.00161 |
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O4A .1833 .1922 .6713 .99 .00091 .00270 .00310 -.00001 .00090 -.00048 |
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O4B .1795 -.1887 .1754 1.09 .00134 .00286 .00216 .00017 .00162 .00009 |
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O5A .0406 .2093 .9195 1.19 .00107 .00290 .00462 .00042 .00062 -.00058 |
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O5B .0332 -.1982 .4286 1.19 .00128 .00294 .00314 .00002 .00001 -.00115 |
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O6A .0685 .3520 .6609 .94 .00080 .00270 .00313 .00026 .00125 .00095 |
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O6B .0670 -.3517 .1728 1.26 .00068 .00292 .00822 -.00009 .00124 -.00098 |
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OHA .3011 .1587 .0647 .94 .00080 .00214 .00425 .00005 .00008 -.00073 |
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OHB .3020 -.1619 -.4307 1.04 .00094 .00271 .00355 .00029 .00049 .00017 |
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Wat1 .0003 .0446 .2157 1.40 .00119 .00296 .00747 .00024 .00112 .00094 |
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Wat2A .0944 .4209 .2354 1.61 .00187 .00293 .00729 .00004 .00109 -.00060 |
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Wat2B .0944 -.4194 -.2768 1.57 .00142 .00272 .00981 .00054 .00128 -.00065 |
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View JMOL 3-D Structure (permalink) |
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