#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/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
loop_
_publ_author_name
'Drenkhahn, H'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Mg Cu2 O3'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              116
_journal_page_last               120
_journal_paper_doi               10.1002/zaac.19754180205
_journal_volume                  418
_journal_year                    1975
_chemical_formula_structural     'Mg Cu2 O3'
_chemical_formula_sum            'Cu2 Mg O3'
_chemical_name_systematic        'Magnesium dicopper oxide'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.
_cell_length_b                   9.35
_cell_length_c                   3.19
_cell_volume                     119.3
_refine_ls_R_factor_all          0.083
_cod_original_sg_symbol_H-M      'P m m n Z'
_cod_database_code               2002199
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+ 2.000
Cu2+ 2.000
O2- -2.000
