#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1100028.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100028
_chemical_name_systematic          'Copper oxide'
_chemical_name_mineral             'Tenorite'
loop_
_publ_author_name
  'Tunell, G'
  'Posnjak, E'
  'Ksanda, C J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_volume                    90
_journal_year                      1935
_journal_page_first                120
_journal_page_last                 142
_cell_length_a                     4.653(10)
_cell_length_b                     3.41(1)
_cell_length_c                     5.108(10)
_cell_angle_alpha                  90
_cell_angle_beta                   99.48(33)
_cell_angle_gamma                  90
_cell_volume                       79.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        6.45
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  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   Cu2+   4 c 0.25 0.25 0. 1.  0 d
  O1    O2-    4 e 0. 0.916 0.75 1.  0 d
_cod_database_code 1100028