data_global
_chemical_name_mineral 'Gladite'
loop_
_publ_author_name
'Topa D'
'Makovicky E'
'Balic-Zunic T'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 40 
_journal_year 2002
_journal_page_first 1147
_journal_page_last 1159
_publ_section_title
;
 The structural role of excess Cu and Pb in gladite and krupkaite
 based on new refinements of their structure
 Sample: bd33
;
_database_code_amcsd 0005780
_chemical_formula_sum 'Bi5 Pb Cu S9'
_cell_length_a 4.0044
_cell_length_b 33.575
_cell_length_c 11.480
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1543.460
_exptl_crystal_density_diffrn      6.904
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Bi1   0.25000   0.39201   0.50696   0.04210
Bi2   0.75000   0.48687   0.65683   0.04340
Bi3   0.25000   0.05623   0.52112   0.04150
Bi4   0.75000   0.27078   0.47365   0.04240
Bi5   0.75000   0.15429   0.64885   0.04390
Pb   0.25000   0.16511   0.31833   0.04850
Cu   0.25000   0.23783   0.72050   0.04900
S1   0.75000   0.35160   0.60860   0.04000
S2   0.75000   0.45810   0.44820   0.03900
S3   0.25000   0.43330   0.70880   0.03700
S4   0.75000   0.01780   0.62790   0.04100
S5   0.75000   0.11900   0.44840   0.03900
S6   0.75000   0.23060   0.27430   0.03900
S7   0.25000   0.31320   0.37140   0.04000
S8   0.25000   0.20810   0.53790   0.04000
S9   0.25000   0.10230   0.71300   0.03700
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
Bi1 0.03880 0.04420 0.04320 0.00000 0.00000 0.00400
Bi2 0.04340 0.04560 0.04120 0.00000 0.00000 -0.00070
Bi3 0.03880 0.04120 0.04440 0.00000 0.00000 0.00300
Bi4 0.03990 0.04700 0.04040 0.00000 0.00000 0.00210
Bi5 0.04380 0.04470 0.04320 0.00000 0.00000 -0.00310
Pb 0.04770 0.05120 0.04680 0.00000 0.00000 0.00490
Cu 0.04800 0.05500 0.04300 0.00000 0.00000 -0.00200
S1 0.04300 0.03800 0.03900 0.00000 0.00000 0.00400
S2 0.03900 0.03900 0.03900 0.00000 0.00000 0.00000
S3 0.03700 0.03500 0.03900 0.00000 0.00000 -0.00100
S4 0.04000 0.04000 0.04200 0.00000 0.00000 0.00200
S5 0.03800 0.03800 0.04000 0.00000 0.00000 0.00200
S6 0.03900 0.03800 0.03800 0.00000 0.00000 0.00000
S7 0.04300 0.03700 0.04100 0.00000 0.00000 -0.00100
S8 0.04100 0.04400 0.03700 0.00000 0.00000 0.00000
S9 0.03700 0.03700 0.03900 0.00000 0.00000 -0.00100