data_global
_chemical_name_mineral 'Digenite'
loop_
_publ_author_name
'Donnay G'
'Donnay J D H'
'Kullerud G'
_journal_name_full 'American Mineralogist'
_journal_volume 43
_journal_year 1958
_journal_page_first 228
_journal_page_last 242
_publ_section_title
;
 Crystal and twin structure of digenite, Cu9S5
;
_database_code_amcsd 82
_chemical_formula_sum 'Cu17 S9'
_cell_length_a 16.16
_cell_length_b 16.16
_cell_length_c 16.16
_cell_angle_alpha 13.93
_cell_angle_beta 13.93
_cell_angle_gamma 13.93
_cell_volume 212.851
_exptl_crystal_density_diffrn  10.679
_symmetry_space_group_name_H-M 'R -3 m '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.5  0.5  0.5
Cu   0.06  0.06  0.06
Cu   -0.06  -0.06  -0.06
Cu   0.133  0.133  0.133
Cu   -0.133  -0.133  -0.133
Cu   0.25  0.25  0.25
Cu   -0.25  -0.25  -0.25
Cu   0.35  0.35  0.35
Cu   -0.35  -0.35  -0.35
S   0.0  0.0  0.0
S   0.2  0.2  0.2
S   -0.2  -0.2  -0.2
S   0.4  0.4  0.4
S   -0.4  -0.4  -0.4