Important Update News

The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

We are grateful to NASA for the funding of this effort.

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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 4
View in amc, download in amc

Return to AMCSD Home Page