data_global
_chemical_name_mineral 'Cupropolybasite'
loop_
_publ_author_name
'Bindi L'
'Evain M'
'Spry P G'
'Tait K T'
'Menchetti S'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 71 
_journal_year 2007
_journal_page_first 641
_journal_page_last 650
_publ_section_title
;
 Structural role of copper in the minerals of the pearceite-polybasite group:
 the case of the new minerals cupropearceite and cupropolybasite
;
_database_code_amcsd 0014581
_chemical_compound_source 'Premier mine, Stewart, British Columbia, Canada'
_chemical_formula_sum 'Ag11.706 Cu4.294 (Sb1.382 As.618) S11'
_cell_length_a 7.3277
_cell_length_b 7.3277
_cell_length_c 11.7752
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 547.563
_exptl_crystal_density_diffrn      6.377
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ag1   0.29540   0.14769   0.38437   0.45100   0.05180
Cu1   0.29540   0.14769   0.38437   0.54900   0.05180
Ag2   0.35680   0.11300   0.12360   0.35600   0.31200
Ag3   0.30460  -0.08410   0.11860   0.39400   0.13900
Sb   0.33333   0.66667   0.41428   0.69100   0.02450
As   0.33333   0.66667   0.41428   0.30900   0.02450
Cu2   0.00000   0.00000   0.00000   1.00000   0.03200
S1   0.00000   0.00000   0.18330   1.00000   0.03220
S2   0.01000   0.50499   0.31516   1.00000   0.02690
S3   0.66667   0.33333   0.02020   1.00000   0.04630
S4   0.00000   0.00000   0.50000   1.00000   0.11300
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
Ag1 0.06200 0.03840 0.06270 0.03100 -0.00520 -0.00260
Cu1 0.06200 0.03840 0.06270 0.03100 -0.00520 -0.00260
Ag2 0.04010 0.73000 0.05100 0.10300 0.00640 0.02000
Ag3 0.23000 0.17700 0.05700 0.13700 -0.03290 -0.03000
Sb 0.02530 0.02530 0.02280 0.01265 0.00000 0.00000
As 0.02530 0.02530 0.02280 0.01265 0.00000 0.00000
Cu2 0.03960 0.03960 0.01680 0.01980 0.00000 0.00000
S1 0.04080 0.04080 0.01500 0.02040 0.00000 0.00000
S2 0.02210 0.02470 0.03300 0.01100 0.00160 0.00080
S3 0.04840 0.04840 0.04210 0.02420 0.00000 0.00000
S4 0.14600 0.14600 0.04700 0.07300 0.00000 0.00000