Dioptase
Ribbe P H, Gibbs G V, Hamil M
American Mineralogist 62 (1977) 807-811
A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O
Locality: Reneville, Congo
_database_code_amcsd 0000587
14.566 14.566 7.778 90 90 120 R-3
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Cu   .40646 .40251 .06300 .00037 .00059 .00146 -.00005 -.00028 -.00044
Si   .17563 .21741 .04130 .00051 .00045 .00118  .00030 -.00003  .00004
O1   .07147 .18088 -.0827 .00088 .00129 .00273  .00068  .00007 -.00010
O2   .28070 .29949 -.0641 .00055 .00087 .00144  .00014 -.00004 -.00026
O3   .15994 .26776 .21390 .00082 .00134 .00142  .00080 -.00059 -.00084
OW   .14217 .18201 .57850 .00304 .00281 .00469  .00195  .00053 -.00090
H1     .146   .106   .559 .00152 .00152 .00401  .00076       0       0
H2     .109   .162   .680 .00208 .00208 .00548  .00104       0       0