BaCuSi2O6
Finger L W, Hazen R M, Hemley R J
American Mineralogist 74 (1989) 952-955
BaCuSi2O6: a new cyclosilicate with four-membered tetrahedral rings
_database_code_amcsd 0001264
7.042 7.042 11.133 90 90 90 I-4m2
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ba1     .5     0   .25 .00650 .00650 .00238       0       0       0
Ba2      0    .5   .25 .00650 .00650 .00119       0       0       0
Cu       0     0 .1225 .00489 .00071 .00210       0       0       0
Si   .2759 .2759     0 .00166 .00166 .00210 -.00025  .00096 -.00096
O1   .2185 .1645 .1190 .00857 .01210 .00282 -.00756 -.00032  .00159
O2   .7429     0 .5300 .00706 .00252 .00383       0  .00064       0