Burnsite
Burns P C, Krivovichev S V, Filatov S K
The Canadian Mineralogist 40 (2002) 1587-1595
New Cu coordination polyhedra in the crystal structure of burnsite,
KCdCu7O2(SeO3)2Cl9
_database_code_amcsd 0005796
8.7805 8.7805 15.521 90 90 120 P6_3/mmc
atom        x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K           0       0    1/4 .0609   .080   .080   .023  .0398      0      0
Cd          0       0      0 .0205  .0212  .0212  .0192  .0106      0      0
Cu(1) -.45264 -.54736 .09057 .0157  .0200  .0200  .0137  .0150 -.0013  .0013
Cu(2)     2/3     1/3    1/4 .0134  .0169  .0169  .0063  .0085      0      0
Se        1/3     2/3 .09730 .0131  .0147  .0147  .0099  .0073      0      0
O(1)      2/3     1/3  .1267 .0112   .012   .012   .010  .0058      0      0
O(2)   -.5696  -.1392  .0447 .0210   .026   .011   .021  .0053 -.0005  -.001
Cl(1) -.13697  -.2739 .10178 .0402  .0571  .0221  .0299  .0110  .0020  .0041
Cl(2)  -.4945  -.5055    1/4 .0352  .0433  .0433  .0370  .0350      0      0