American Mineralogist Crystal Structure Database

4 matching records for this search.

Scottyite
 
Yang H, Downs R T, Evans S H, Pinch W W
 
American Mineralogist 98 (2013) 478-484
Scottyite, the natural analog of synthetic BaCu2Si2O7,
a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa
Locality: Wessels mine, Kalahari Manganese Fields, South Africa
_database_code_amcsd 0019774
6.8556 13.1725 6.8901 90 90 90 Pnma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .01303    .25 .45688 .00970  .0089  .0108  .0095      0 -.0008      0
Cu   .27762 .00417 .20631 .00714  .0089  .0057  .0068  .0014 -.0023 -.0008
Si   .49765 .13406 .52716  .0057  .0066  .0047  .0057 .00039  .0004 -.0000
O1    .4044    .25  .5167  .0087  .0084  .0057  .0120      0 -.0004      0
O2    .1725  .1337  .1306  .0104  .0122  .0068  .0122  .0022 -.0053 -.0003
O3    .5590  .1121  .7486  .0111  .0152  .0098  .0083  .0048 -.0031 -.0017
O4    .3173  .0596  .4658  .0078  .0105  .0076  .0053 -.0022  .0007 -.0010
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Scottyite
 
Janczak J, Kubiak R, Glowiak T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=1383
Acta Crystallographica C46 (1990) 1383-1385
Structure of barium copper pyrosilicate at 300 K
_database_code_amcsd 0010169
6.866 13.190 6.909 90 90 90 Pnma
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   -.0130   .25 .9570 .0081  .0071  .0091  .0080      0  .0008      0
Cu    .2223 .0042 .7936 .0061  .0078  .0048  .0055  .0009 -.0020 -.0012
Si    .0024 .1340 .4729 .0051  .0062  .0038  .0052  .0006 -.0004 -.0002
O1   .09660   .25 .4828 .0080  .0062  .0025  .0151      0  .0020      0
O2   -.1718 .1338 .6309 .0097  .0096  .0078  .0107 -.0001  .0051 -.0029
O3   -.0589 .1121 .2519 .0107  .0127  .0119  .0074  .0031 -.0034 -.0047
O4    .1828 .0597 .5340 .0067  .0102  .0046  .0050  .0007 -.0008  .0021
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Scottyite
 
Chen Y, Zhang Y, Feng S
 
Dyes and Pigments 105 (2014) 167-173
Hydrothermal synthesis and properties of pigments
Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
Locality: synthetic
_database_code_amcsd 0020060
6.86317 13.1773 6.86317 90 90 90 Pnma
atom      x     y      z Biso
Ba   -.0133   .25  .9565  .02
Cu    .2208 .0034  .7919  .02
Si   -.0027 .1357  .4727  .03
O1     .097   .25   .485  .01
O2    -.183 .1344  .6283  .02
O3    -.070 .1092  .2363  .02
O4    .1650 .0632   .531  .04
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View JMOL 3-D Structure (permalink)
 
Scottyite
 
Yamada T, Hiroi Z, Takano M
 
Journal of Solid State Chemistry 156 (2001) 101-109
Spin-1/2 quantum antiferromagnetic chains with tunable superexchange
interactions found in BaCu2(Si1-xGex)2O7
Locality: synthetic
_database_code_amcsd 0018761
6.86058 13.17507 6.89589 90 90 90 Pnma
atom      x     y     z Biso
Ba   -.0115   .25 .9558 1.77
Cu    .2214 .0052 .7927 1.80
Si    .0045 .1337 .4732  .66
O1    .0775   .25 .4781 -.01
O2   -.1617 .1311 .6238 1.97
O3   -.0698 .1155 .2619 2.33
O4    .1809 .0649 .5299  .58
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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Total number of retrieved datasets: 4
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