data_global
_chemical_name_mineral 'Jaskolskiite'
loop_
_publ_author_name
'Makovicky E'
'Norrestam R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 171 
_journal_year 1985
_journal_page_first 179
_journal_page_last 194
_publ_section_title
;
 The crystal structure of jaskolskiite, Cux Pb2+x (Sb,Bi)2-x S5 (x~0.2),
 a member of the meneghinite homologous series
;
_database_code_amcsd 0010923
_chemical_compound_source 'Vena ore deposit, Sweden'
_chemical_formula_sum 'Cu.16 Pb2.16 Sb1.31 Bi.51 S5'
_cell_length_a 11.312
_cell_length_b 19.8290
_cell_length_c 4.088
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 916.962
_exptl_crystal_density_diffrn      6.404
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-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
Cu   0.39150   0.25870   0.25000   0.16000   0.02550
PbM1   0.30140  -0.02370   0.25000   0.29000   0.03330
SbM1   0.30140  -0.02370   0.25000   0.71000   0.03330
SbM4   0.37530   0.12810   0.75000   0.60000   0.02930
BiM4   0.37530   0.12810   0.75000   0.40000   0.02930
PbM2   0.49910   0.40430   0.75000   0.87000   0.03230
BiM2   0.49910   0.40430   0.75000   0.11000   0.03230
PbM3   0.16880   0.29230   0.75000   1.00000   0.03410
S1   0.62850   0.47640   0.25000   1.00000   0.02040
S2   0.56320   0.07930   0.25000   1.00000   0.02540
S3   0.24670   0.17110   0.25000   1.00000   0.03090
S4   0.49480   0.23350   0.75000   1.00000   0.02360
S5   0.31840   0.36800   0.25000   1.00000   0.01840
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
PbM1 0.03920 0.02710 0.03370 0.00000 0.00000 -0.00260
SbM1 0.03920 0.02710 0.03370 0.00000 0.00000 -0.00260
SbM4 0.03470 0.01570 0.03740 0.00000 0.00000 0.00110
BiM4 0.03470 0.01570 0.03740 0.00000 0.00000 0.00110
PbM2 0.03410 0.02810 0.03460 0.00000 0.00000 0.00060
BiM2 0.03410 0.02810 0.03460 0.00000 0.00000 0.00060
PbM3 0.05130 0.01630 0.03470 0.00000 0.00000 -0.00070