data_9000079
loop_
_publ_author_name
'Donnay, G.'
'Donnay, J. D. H.'
'Kullerud, G.'
_publ_section_title
;
 Crystal and twin structure of digenite, Cu9S5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              228
_journal_page_last               242
_journal_volume                  43
_journal_year                    1958
_chemical_formula_sum            'Cu17 S9'
_chemical_name_mineral           Digenite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                83.035
_cell_angle_beta                 83.035
_cell_angle_gamma                60
_cell_length_a                   3.91922044323155
_cell_length_b                   3.91922044323155
_cell_length_c                   16.16
_cell_volume                     212.849
_exptl_crystal_density_diffrn    10.679
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
_cod_database_code               9000079
loop_
_symmetry_equiv_pos_as_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 0.94 0.94 0.18
Cu 0.06 0.06 0.82
Cu 0.867 0.867 0.399
Cu 0.133 0.133 0.601
Cu 0.75 0.75 0.75
Cu 0.25 0.25 0.25
Cu 0.65 0.65 0.05
Cu 0.35 0.35 0.95
S 0 0 0
S 0.8 0.8 0.6
S 0.2 0.2 0.4
S 0.6 0.6 0.2
S 0.4 0.4 0.8
