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Zoisite |
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Liebscher A, Gottschalk M, Franz G |
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American Mineralogist 87 (2002) 909-921 |
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The substitution Fe-Al and the isosymmetric displacive phase transition |
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in synthetic zoisite: A powder X-ray and infrared spectroscopic study |
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Sample: Zo3, X(Fe/(Fe+Al-2)) = 0.0 |
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_database_code_amcsd 0002855 |
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16.1913 5.5488 10.0320 90 90 90 Pnma |
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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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CaA1 .3666 .25 .4376 .0074 .0098 .0069 0 .0009 0 |
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CaA2 .4521 .25 .1130 .0125 .0110 .0077 0 -.0001 0 |
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AlM1,2 .2498 .9972 .1905 .0047 .0040 .0060 -.0001 .0002 -.0003 |
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AlM3 .1057 .75 .3013 .0035 .0061 .0074 0 -.0005 0 |
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SiT1 .0817 .25 .1054 .0039 .0043 .0053 0 -.0006 0 |
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SiT2 .4101 .75 .2816 .0044 .0049 .0051 0 -.0003 0 |
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SiT3 .1605 .25 .4349 .0049 .0043 .0047 0 .0005 0 |
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O1 .1303 -.004 .1434 .0059 .0055 .0107 .0003 -.0019 -.0003 |
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O2 .1018 .0112 .4288 .0073 .0078 .0083 -.0019 .0016 -.0006 |
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O3 .3601 .992 .2439 .0067 .0042 .0118 -.0004 -.0017 .0001 |
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O4 .2212 .75 .3016 .0076 .0034 .0082 0 -.0009 0 |
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O5 .2265 .25 .3115 .0062 .0047 .0050 0 .0010 0 |
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O6 .2724 .75 .0600 .0045 .0073 .0050 0 -.0009 0 |
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O7 .9892 .25 .1636 .006 .0100 .0128 0 .0011 0 |
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O8 .9985 .75 .2965 .008 .0126 .0141 0 -.0026 0 |
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O9 .4190 .75 .4425 .019 .023 .0073 0 -.0002 0 |
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O10 .2676 .25 .0741 .013 .0058 .0063 0 .0014 0 |
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H .26 .25 .95 .050 |
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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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