data_1010941
_chemical_name_systematic          'Copper(I) oxide'
_chemical_name_mineral             'Cuprite'
_chemical_formula_structural       'Cu2 O'
_chemical_formula_sum              'Cu2 O'
_publ_section_title                'Die Kristallstruktur einiger Oxyde I.'
_publ_author_name                  'Niggli, P'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    57
_journal_year                      1922
_journal_page_first                253
_journal_page_last                 299
_cell_length_a                     4.26
_cell_length_b                     4.26
_cell_length_c                     4.26
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       77.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P n -3 m S'
_symmetry_Int_Tables_number        224
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,z,y'
  'y,z,x'
  'z,y,x'
  'z,x,y'
  'y,x,z'
  'x,-y,-z'
  'x,-z,-y'
  'y,-z,-x'
  'z,-y,-x'
  'z,-x,-y'
  'y,-x,-z'
  '-x,y,-z'
  '-x,z,-y'
  '-y,z,-x'
  '-z,y,-x'
  '-z,x,-y'
  '-y,x,-z'
  '-x,-y,z'
  '-x,-z,y'
  '-y,-z,x'
  '-z,-y,x'
  '-z,-x,y'
  '-y,-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2-z,1/2-y'
  '1/2-y,1/2-z,1/2-x'
  '1/2-z,1/2-y,1/2-x'
  '1/2-z,1/2-x,1/2-y'
  '1/2-y,1/2-x,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2-x,1/2+z,1/2+y'
  '1/2-y,1/2+z,1/2+x'
  '1/2-z,1/2+y,1/2+x'
  '1/2-z,1/2+x,1/2+y'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,1/2-z,1/2+y'
  '1/2+y,1/2-z,1/2+x'
  '1/2+z,1/2-y,1/2+x'
  '1/2+z,1/2-x,1/2+y'
  '1/2+y,1/2-x,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2+z,1/2-y'
  '1/2+y,1/2+z,1/2-x'
  '1/2+z,1/2+y,1/2-x'
  '1/2+z,1/2+x,1/2-y'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu1+   1.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cu1   Cu1+   4 b 0.25 0.25 0.25 1.  0 d
  O1    O2-    2 a 0. 0. 0. 1.  0 d