data_global
_chemical_name_mineral 'Owensite'
loop_
_publ_author_name
'Szymanski J T'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 671
_journal_page_last 677
_publ_section_title
;
 The crystal structure of owensite, (Ba,Pb)6(Cu,Fe,Ni)25S27, a new member of the
 djerfisherite group
;
_database_code_amcsd 0005435
_chemical_formula_sum '(Cu13.092 Fe11.908) Ba5.438 Pb.562 S27'
_cell_length_a 10.349
_cell_length_b 10.349
_cell_length_c 10.349
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1108.396
_exptl_crystal_density_diffrn      4.833
_symmetry_space_group_name_H-M 'P m 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
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
Cu1   0.50000   0.50000   0.50000   0.52370 ?
Fe1   0.50000   0.50000   0.50000   0.47630 ?
Cu2   0.36416   0.36416   0.13806   0.52370 ?
Fe2   0.36416   0.36416   0.13806   0.47630 ?
Ba   0.00000   0.00000   0.30420   0.90640 ?
Pb   0.01490   0.01490   0.27400   0.02340   0.01520
S1   0.00000   0.00000   0.00000   1.00000 ?
S2   0.24422   0.50000   0.00000   1.00000 ?
S3   0.50000   0.50000   0.25858   1.00000 ?
S4   0.21703   0.21703   0.21703   1.00000 ?
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
Cu1 0.01600 0.01600 0.01600 0.00000 0.00000 0.00000
Fe1 0.01600 0.01600 0.01600 0.00000 0.00000 0.00000
Cu2 0.01670 0.01670 0.02170 -0.00160 0.00040 0.00040
Fe2 0.01670 0.01670 0.02170 -0.00160 0.00040 0.00040
Ba 0.01540 0.01540 0.01200 0.00000 0.00000 0.00000
S1 0.01390 0.01390 0.01390 0.00000 0.00000 0.00000
S2 0.01380 0.01470 0.01330 0.00000 0.00000 0.00000
S3 0.01500 0.01500 0.01020 0.00000 0.00000 0.00000
S4 0.01600 0.01600 0.01600 0.00230 0.00230 0.00230