data_9012384
_publ_section_title
;
 Zur struktur der mischung kupfer-arsen
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              231
_journal_page_last               236
_journal_paper_doi               10.1016/0022-5088(71)90086-5
_journal_volume                  23
_journal_year                    1971
_chemical_formula_sum            'As2 Cu5'
_chemical_name_mineral           Koutekite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.977
_cell_length_b                   11.577
_cell_length_c                   5.491
_cell_volume                     379.954
_exptl_crystal_density_diffrn    8.174
_[local]_cod_chemical_formula_sum_orig 'Cu5 As2'
_cod_database_code               9012384
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.33500 0.40900 0.00000 0.01393
Cu2 0.00000 0.26400 0.25000 0.01013
Cu3 0.50000 0.00000 0.25000 0.01013
As 0.23800 0.11800 0.00000 ?
