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Scottyite |
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Yang H, Downs R T, Evans S H, Pinch W W |
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American Mineralogist 98 (2013) 478-484 |
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Scottyite, the natural analog of synthetic BaCu2Si2O7, |
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a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa |
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Locality: Wessels mine, Kalahari Manganese Fields, South Africa |
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_database_code_amcsd 0019774 |
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6.8556 13.1725 6.8901 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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Ba .01303 .25 .45688 .00970 .0089 .0108 .0095 0 -.0008 0 |
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Cu .27762 .00417 .20631 .00714 .0089 .0057 .0068 .0014 -.0023 -.0008 |
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Si .49765 .13406 .52716 .0057 .0066 .0047 .0057 .00039 .0004 -.0000 |
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O1 .4044 .25 .5167 .0087 .0084 .0057 .0120 0 -.0004 0 |
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O2 .1725 .1337 .1306 .0104 .0122 .0068 .0122 .0022 -.0053 -.0003 |
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O3 .5590 .1121 .7486 .0111 .0152 .0098 .0083 .0048 -.0031 -.0017 |
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O4 .3173 .0596 .4658 .0078 .0105 .0076 .0053 -.0022 .0007 -.0010 |
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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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Scottyite |
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Janczak J, Kubiak R, Glowiak T |
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Acta Crystallographica C46 (1990) 1383-1385 |
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Structure of barium copper pyrosilicate at 300 K |
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_database_code_amcsd 0010169 |
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6.866 13.190 6.909 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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Ba -.0130 .25 .9570 .0081 .0071 .0091 .0080 0 .0008 0 |
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Cu .2223 .0042 .7936 .0061 .0078 .0048 .0055 .0009 -.0020 -.0012 |
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Si .0024 .1340 .4729 .0051 .0062 .0038 .0052 .0006 -.0004 -.0002 |
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O1 .09660 .25 .4828 .0080 .0062 .0025 .0151 0 .0020 0 |
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O2 -.1718 .1338 .6309 .0097 .0096 .0078 .0107 -.0001 .0051 -.0029 |
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O3 -.0589 .1121 .2519 .0107 .0127 .0119 .0074 .0031 -.0034 -.0047 |
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O4 .1828 .0597 .5340 .0067 .0102 .0046 .0050 .0007 -.0008 .0021 |
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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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Scottyite |
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Chen Y, Zhang Y, Feng S |
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Dyes and Pigments 105 (2014) 167-173 |
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Hydrothermal synthesis and properties of pigments |
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Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 |
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Locality: synthetic |
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_database_code_amcsd 0020060 |
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6.86317 13.1773 6.86317 90 90 90 Pnma |
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atom x y z Biso |
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Ba -.0133 .25 .9565 .02 |
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Cu .2208 .0034 .7919 .02 |
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Si -.0027 .1357 .4727 .03 |
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O1 .097 .25 .485 .01 |
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O2 -.183 .1344 .6283 .02 |
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O3 -.070 .1092 .2363 .02 |
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O4 .1650 .0632 .531 .04 |
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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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Scottyite |
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Yamada T, Hiroi Z, Takano M |
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Journal of Solid State Chemistry 156 (2001) 101-109 |
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Spin-1/2 quantum antiferromagnetic chains with tunable superexchange |
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interactions found in BaCu2(Si1-xGex)2O7 |
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Locality: synthetic |
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_database_code_amcsd 0018761 |
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6.86058 13.17507 6.89589 90 90 90 Pnma |
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atom x y z Biso |
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Ba -.0115 .25 .9558 1.77 |
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Cu .2214 .0052 .7927 1.80 |
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Si .0045 .1337 .4732 .66 |
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O1 .0775 .25 .4781 -.01 |
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O2 -.1617 .1311 .6238 1.97 |
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O3 -.0698 .1155 .2619 2.33 |
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O4 .1809 .0649 .5299 .58 |
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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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