data_global
_chemical_name_mineral 'Burnsite'
loop_
_publ_author_name
'Burns P C'
'Krivovichev S V'
'Filatov S K'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 40 
_journal_year 2002
_journal_page_first 1587
_journal_page_last 1595
_publ_section_title
;
 New Cu coordination polyhedra in the crystal structure of burnsite,
 KCdCu7O2(SeO3)2Cl9
;
_database_code_amcsd 0005796
_chemical_formula_sum 'K Cd Cu7 Se2 O8 Cl9'
_cell_length_a 8.7805
_cell_length_b 8.7805
_cell_length_c 15.521
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1036.308
_exptl_crystal_density_diffrn      3.850
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.00000   0.00000   0.25000   0.06090
Cd   0.00000   0.00000   0.00000   0.02050
Cu(1)  -0.45264  -0.54736   0.09057   0.01570
Cu(2)   0.66667   0.33333   0.25000   0.01340
Se   0.33333   0.66667   0.09730   0.01310
O(1)   0.66667   0.33333   0.12670   0.01120
O(2)  -0.56960  -0.13920   0.04470   0.02100
Cl(1)  -0.13697  -0.27390   0.10178   0.04020
Cl(2)  -0.49450  -0.50550   0.25000   0.03520
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.08000 0.08000 0.02300 0.03980 0.00000 0.00000
Cd 0.02120 0.02120 0.01920 0.01060 0.00000 0.00000
Cu(1) 0.02000 0.02000 0.01370 0.01500 -0.00130 0.00130
Cu(2) 0.01690 0.01690 0.00630 0.00850 0.00000 0.00000
Se 0.01470 0.01470 0.00990 0.00730 0.00000 0.00000
O(1) 0.01200 0.01200 0.01000 0.00580 0.00000 0.00000
O(2) 0.02600 0.01100 0.02100 0.00530 -0.00050 -0.00100
Cl(1) 0.05710 0.02210 0.02990 0.01100 0.00200 0.00410
Cl(2) 0.04330 0.04330 0.03700 0.03500 0.00000 0.00000