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Nagashimalite |
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Matsubara S |
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Mineralogical Journal 10 (1980) 131-142 |
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The crystal structure of nagashimalite, Ba4(V(3+),Ti)4[(O,OH)2|Cl|Si8B2O27] |
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Locality: Mogurazawa mine, Kirya City, Gumma Prefecture, Japan |
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_database_code_amcsd 0014423 |
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13.937 12.122 7.116 90 90 90 *Pmmn |
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-.25 -.25 0 |
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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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Ba1 .25 .75 .2392 1.02 .00118 .00109 .00741 0 0 0 |
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Ba2 .25 .25 .4730 2.98 .00231 .00331 .02563 0 0 0 |
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Ba3 .4755 .25 .0060 .81 .00115 .00109 .00447 0 -.00018 0 |
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V .4995 .1281 .5204 .86 .43 .00058 .00073 .00200 -.00014 -.00027 .00020 |
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Ti1 .4995 .1281 .5204 .14 .43 .00058 .00073 .00200 -.00014 -.00027 .00020 |
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Si1 .3665 .0117 .2056 .38 .00052 .00064 .00187 -.00005 -.00011 .00010 |
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Si2 .6444 .0256 .2074 .36 .00052 .00060 .00160 -.00001 .00001 -.00008 |
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B .3418 .75 .7201 .28 |
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O1 .25 -.0045 .2229 .89 .00053 .00186 .00585 0 0 .00086 |
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O2 .75 .9798 .2679 .73 .00052 .00140 .00475 0 0 .00148 |
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O3 .5761 .25 .4109 .65 .00098 .00079 .00356 0 .00043 0 |
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O4 .5706 .75 .3585 .78 .81 .00061 .00241 .00267 0 -.00016 0 |
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OH4 .5706 .75 .3585 .22 .81 .00061 .00241 .00267 0 -.00016 0 |
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O5 .6099 .9610 .0182 .74 .00125 .00113 .00290 -.00029 .00038 -.00014 |
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O6 .4029 .1211 .3120 .65 .00131 .00060 .00287 -.00012 -.00069 -.00020 |
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O7 .4101 .8929 .2629 .60 .00104 .00079 .00258 .00011 -.00071 .00027 |
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O8 .6479 .1544 .1489 .52 .00099 .00059 .00223 -.00005 -.00020 .00019 |
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O9 .5726 .0050 .3776 .58 .00091 .00099 .00216 -.00007 .00063 -.00004 |
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O10 .25 .75 .6235 .67 .00077 .00191 .00142 0 0 0 |
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Cl1 .25 .25 .9858 1.80 .00129 .00271 .01386 0 0 0 |
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