#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002199.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_2002199
_chemical_name_systematic          'Magnesium dicopper oxide'
_chemical_formula_structural       'Mg Cu2 O3'
_chemical_formula_sum              'Cu2 Mg O3'
_publ_section_title                'Zur Kenntnis von Mg Cu2 O3'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_[local]_cod_cif_authors_sg_H-M  'P m m n Z'
loop_
_publ_author_name
  'Drenkhahn, H'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    418
_journal_year                      1975
_journal_page_first                116
_journal_page_last                 120
_cell_length_a                     4.
_cell_length_b                     9.35
_cell_length_c                     3.19
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       119.3
_cell_formula_units_Z              2
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  'x,1/2-y,z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
  '1/2+x,-y,-z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  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
  Mg1   Mg2+   2 a 0.25 0.25 0.369 1.  0 d
  Cu1   Cu2+   4 e 0.75 0.086 0.82 1.  0 d
  O1    O2-    2 b 0.75 0.25 0.453 1.  0 d
  O2    O2-    4 e 0.25 0.094 0.869 1.  0 d
_refine_ls_R_factor_all            0.083
_cod_database_code 2002199