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Vesuvianite |
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Rucklidge J C, Kocman V, Whitlow S H, Gabe E J |
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The Canadian Mineralogist 13 (1975) 15-21 |
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The crystal structures of three Canadian vesuvianites |
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Sample: #2 Bancroft |
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_database_code_amcsd 0005101 |
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15.558 15.558 11.810 90 90 90 *P4/nnc |
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.25 .25 .25 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si1 -.25 .25 0 .00064 .00064 .00085 0 0 0 |
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Si2 -.18077 .03960 .87142 .00058 .00062 .00095 .00001 -.00001 .00003 |
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Si3 -.08349 -.15075 .36462 .00097 .00043 .00092 .00000 -.00003 -.00007 |
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Ca1 -.25 .25 .25 .94 .00202 .00128 .00190 0 0 0 |
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Na1 -.25 .25 .25 .06 .00202 .00128 .00190 0 0 0 |
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Ca2 -.18907 .04441 .37936 .94 .00071 .00093 .00115 .00005 -.00005 .00002 |
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Na2 -.18907 .04441 .37936 .06 .00071 .00093 .00115 .00005 -.00005 .00002 |
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Ca3 -.10067 -.17941 .88598 .94 .00091 .00085 .00271 .00011 -.00054 .00031 |
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Na3 -.10067 -.17941 .88598 .06 .00091 .00085 .00271 .00011 -.00054 .00031 |
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CaC -.25 -.25 .14123 .524 .00087 .00087 .00383 0 0 0 |
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FeB -.25 -.25 .04521 .431 .00032 .00032 .00709 0 0 0 |
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CaB -.25 -.25 .04521 .068 .00032 .00032 .00709 0 0 0 |
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Al -.11095 .12038 .12775 .743 .00066 .00057 .00076 -.00012 .00015 -.00008 |
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Fe -.11095 .12038 .12775 .257 .00066 .00057 .00076 -.00012 .00015 -.00008 |
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AlA 0 0 0 .00019 .00016 .00075 .00010 .00004 .00006 |
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O1 -.21967 .17240 .08474 .00087 .00081 .00143 -.00002 .00004 .00034 |
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O2 -.11603 .15938 .27942 .00094 .00090 .00140 -.00021 -.00013 .00012 |
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O3 -.04876 .22176 .07560 .00102 .00060 .00095 .00014 .00012 .00007 |
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O4 -.06110 .10669 .47051 .00078 .00076 .00109 .00011 -.00018 .00007 |
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O5 -.17054 .01480 .17936 .00086 .00111 .00146 .00023 .00023 .00025 |
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O6 -.11913 -.27181 .05890 .00169 .00090 .00185 .00030 .00024 .00052 |
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O7 .05680 .17486 .32239 .00087 .00113 .00187 .00012 .00007 -.00016 |
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O8 -.06083 -.09074 .06683 .00064 .00075 .00175 .00000 .00022 .00013 |
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O9 -.14482 -.14482 .25 .00121 .00121 .00089 .00022 .00001 -.00001 |
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O10 -.25 -.25 .86738 .00115 .00115 .00327 0 0 0 |
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OH -.00463 .06174 .13521 .00085 .00081 .00106 -.00002 -.00007 -.00011 |
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