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Bornite |
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Kanazawa Y, Koto K, Morimoto N |
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The Canadian Mineralogist 16 (1978) 397-404 |
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Bornite (Cu5FeS4): Stability and crystal structure of the intermediate form |
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Sample: T = 185 degree C |
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_database_code_amcsd 0005156 |
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10.9806 10.9806 10.9806 90 90 90 Fm3m |
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atom x y z occ Biso |
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CuM11 .0909 .0909 .0909 1/4 4.6 |
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CuM12 .1295 .1295 .1069 1/12 1.6 |
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FeM2 .3614 .1386 .1133 1/12 3.5 |
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CuM2 .3614 .1386 .1133 3/12 3.5 |
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S1 .2535 0 0 2.4 |
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S2 .25 .25 .25 2.6 |
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Kamiokite |
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Kanazawa Y, Sasaki A |
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Acta Crystallographica C42 (1986) 9-11 |
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Structure of kamiokite |
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Locality: Kamioka mine, Gifu Prefecture, Japan |
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Note: anisoB's taken from ICSD |
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_database_code_amcsd 0010022 |
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5.781 5.781 10.060 90 90 120 P6_3mc |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 1/3 2/3 .9504 .54 .0060 .0060 .0010 .0030 0 0 |
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Fe2 1/3 2/3 .5120 .44 .0047 .0047 .0010 .0023 0 0 |
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Mo .14603 .29206 .25 .253 .0019 .0019 .0008 .0005 .0001 .0001 |
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O1 0 0 .3923 .41 .0037 .0037 .0013 .0018 0 0 |
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O2 1/3 2/3 .1486 .44 .0049 .0049 .0008 .0025 0 0 |
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O3 .4872 .9744 .3645 .49 .0058 .0058 .0012 .0042 -.0007 -.0007 |
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O4 .1665 .3330 .6352 .50 .0045 .0045 .0015 .0025 .0008 .0008 |
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Wadalite |
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Tsukimura K, Kanazawa Y, Aoki M, Bunno M |
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Acta Crystallographica C49 (1993) 205-207 |
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Structure of wadalite Ca6Al5Si2O16Cl3 |
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Note: the values for the anisoU's are from ICSD |
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_database_code_amcsd 0010280 |
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12.001 12.001 12.001 90 90 90 I-43d |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .1043 0 .25 .96 .0086 .0082 .0092 .0084 0 0 .0110 |
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Mg .1043 0 .250 .04 .0086 .0082 .0092 .0084 0 0 .0110 |
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AlT1 -.0169 -.0169 -.0169 .60 .0065 .0065 .0065 .0065 .0005 .0005 .0005 |
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SiT1 -.0169 -.0169 -.0169 .28 .0065 .0065 .0065 .0065 .0005 .0005 .0005 |
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FeT1 -.0169 -.0169 -.0169 .12 .0065 .0065 .0065 .0065 .0005 .0005 .0005 |
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AlT2 .375 0 .25 .68 .0066 .0016 .0090 .0090 0 0 0 |
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SiT2 .375 0 .25 .32 .0066 .0016 .0090 .0090 0 0 0 |
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O1 .0628 .0628 .0628 .0178 .0178 .0178 .0178 .0096 .0096 .0096 |
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O2 .0308 .0500 .6488 .0120 .0088 .0122 .0151 .0020 .0014 -.0005 |
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Cl .125 .5 .25 .92 .0189 .0078 .0244 .0244 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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