data_38233-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                38233
_audit_creation_date               1980/01/01
_audit_update_record               2005/10/01
_chemical_name_systematic          'Copper(I) Oxide'
_chemical_formula_structural       'Cu2 O'
_chemical_formula_sum              'Cu2 O1'
_chemical_name_mineral             Cuprite
_publ_section_title
;
An investigation on oxidation of crystal surfaces with electron 
diffraction method, II.- copper single crystals
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Proceedings of the Physico-Mathematical Society of Japan'
 1938 20 230 241 PPMJAJ
_publ_author_name                  'Yamaguti, T.'
_cell_length_a                     4.258(4)
_cell_length_b                     4.258
_cell_length_c                     4.258
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       77.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P n -3 m S'
_symmetry_Int_Tables_number        224
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/2, x+1/2, -z+1/2'
  2	'z+1/2, x+1/2, -y+1/2'
  3	'z+1/2, y+1/2, -x+1/2'
  4	'y+1/2, z+1/2, -x+1/2'
  5	'x+1/2, z+1/2, -y+1/2'
  6	'x+1/2, y+1/2, -z+1/2'
  7	'y+1/2, -x+1/2, z+1/2'
  8	'z+1/2, -x+1/2, y+1/2'
  9	'z+1/2, -y+1/2, x+1/2'
 10	'y+1/2, -z+1/2, x+1/2'
 11	'x+1/2, -z+1/2, y+1/2'
 12	'x+1/2, -y+1/2, z+1/2'
 13	'-y+1/2, x+1/2, z+1/2'
 14	'-z+1/2, x+1/2, y+1/2'
 15	'-z+1/2, y+1/2, x+1/2'
 16	'-y+1/2, z+1/2, x+1/2'
 17	'-x+1/2, z+1/2, y+1/2'
 18	'-x+1/2, y+1/2, z+1/2'
 19	'-y+1/2, -x+1/2, -z+1/2'
 20	'-z+1/2, -x+1/2, -y+1/2'
 21	'-z+1/2, -y+1/2, -x+1/2'
 22	'-y+1/2, -z+1/2, -x+1/2'
 23	'-x+1/2, -z+1/2, -y+1/2'
 24	'-x+1/2, -y+1/2, -z+1/2'
 25	'-y, -x, z'
 26	'-z, -x, y'
 27	'-z, -y, x'
 28	'-y, -z, x'
 29	'-x, -z, y'
 30	'-x, -y, z'
 31	'-y, x, -z'
 32	'-z, x, -y'
 33	'-z, y, -x'
 34	'-y, z, -x'
 35	'-x, z, -y'
 36	'-x, y, -z'
 37	'y, -x, -z'
 38	'z, -x, -y'
 39	'z, -y, -x'
 40	'y, -z, -x'
 41	'x, -z, -y'
 42	'x, -y, -z'
 43	'y, x, z'
 44	'z, x, y'
 45	'z, y, x'
 46	'y, z, x'
 47	'x, z, y'
 48	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu1+	1
O2-	-2
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
O1 O2- 2 a 0 0 0 1. 0 
Cu1 Cu1+ 4 b 0.25 0.25 0.25 1. 0 

#End of data_38233-ICSD


