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Pentagonite |
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Evans H T |
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American Mineralogist 58 (1973) 412-424 |
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The crystal structures of cavansite and pentagonite |
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_database_code_amcsd 0000317 |
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10.386 14.046 8.975 90 90 90 Ccm2_1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si1 .1272 .2062 .0871 .0037 .0015 .0017 -.0001 -.0002 .0000 |
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Si2 .1232 .2074 .4265 .0014 .0009 .0038 -.0005 -.0009 .0002 |
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Ca .2403 0 .2674 .0038 .0019 .0033 0 .0008 0 |
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V -.0224 0 .0553 .0035 .0016 .0043 0 -.0011 0 |
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O1 .1231 .0927 .0842 .0041 .0009 .0059 -.0001 .0021 .0007 |
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O2 .1201 .0934 .4358 .0034 .0013 .0030 .0007 .0006 -.0006 |
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O3 .2532 .2468 .0115 .0026 .0022 .0081 -.0015 .0003 .0004 |
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O4 .0036 .2540 .0075 .0031 .0013 .0083 -.0002 -.0025 .0009 |
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O5 .1229 .2455 .2573 .0052 .0025 .0018 .0004 .0006 .0016 |
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O6 -.0887 0 .2136 .0059 .0046 .0049 0 .0008 0 |
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Wat7 .3968 .1188 .2425 .0121 .0048 .0099 -.0022 -.0057 .0035 |
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Wat8 .6250 0 -.0035 .0130 .0069 .0112 0 -.0079 0 |
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Wat9 .353 0 -.096 .0098 .0133 .0094 0 .0124 0 |
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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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Pentagonite |
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Ishida N, Kimata M, Nishida N, Hatta T, Shimizu M, Akasaka T |
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Journal of Mineralogical and Petrological Sciences 104 (2009) 241-252 |
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Polymorphic relation between cavanite and pentagonite: |
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genetic implications of oxonium ion in cavansite |
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Locality: Deccan basalts, Wagholi, India |
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_database_code_amcsd 0019265 |
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10.376 14.062 8.984 90 90 90 Ccm2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .2397 0 .2680 .0110 .0095 .0095 .0140 0 .0011 0 |
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V -.0223 0 .0562 .0090 .0086 .0075 .0109 0 -.0019 0 |
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Si1 .1275 .2060 .0882 .0073 .0064 .0073 .0082 -.0009 .0002 .0009 |
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Si2 .1234 .2073 .4273 .0070 .0060 .0077 .0074 -.0010 .0005 -.0002 |
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O1 .1216 .0926 .0838 .0121 .010 .008 .018 .001 -.004 -.001 |
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O2 .1191 .0938 .4352 .0112 .012 .007 .014 -.001 .004 -.001 |
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O3 .2536 .2461 .0095 .0171 .012 .019 .020 .006 .006 .002 |
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O4 .0034 .2546 .0062 .0127 .009 .008 .022 .001 -.006 .001 |
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O5 .1248 .2456 .2577 .0137 .021 .011 .009 -.001 .002 .002 |
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O6 -.0914 0 .2136 .023 .027 .027 .015 0 .003 0 |
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Wat7 .4003 .1173 .2381 .047 .037 .051 .053 -.028 -.021 .024 |
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Wat8 .6196 0 .0004 .053 .041 .076 .041 0 .021 0 |
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Wat9 .3474 0 -.103 .131 .026 .126 .24 0 .019 0 |
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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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