#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002259.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_2002259
loop_
_publ_author_name
'Mattausch, H'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Ba2 Co O4'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1
_journal_page_last               14
_journal_paper_doi               10.1002/zaac.19713860102
_journal_volume                  386
_journal_year                    1971
_chemical_formula_structural     'Ba2 Co O4'
_chemical_formula_sum            'Ba2 Co O4'
_chemical_name_systematic        'Dibarium cobalt(IV) oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.65
_cell_length_b                   5.85
_cell_length_c                   10.337
_cell_volume                     462.6
_refine_ls_R_factor_all          0.065
_cod_database_code               2002259
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,y,1/2-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
Ba1 Ba2+ 4 c 0.0052 0.25 0.1887 1. 0 d
Ba2 Ba2+ 4 c 0.8526 0.25 0.5829 1. 0 d
Co1 Co4+ 4 c 0.275 0.25 0.582 1. 0 d
O1 O2- 4 c 0.513 0.25 0.585 1. 0 d
O2 O2- 4 c 0.158 0.25 0.426 1. 0 d
O3 O2- 8 d 0.315 0. 0.153 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Co4+ 4.000
O2- -2.000
