#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/23/2002330.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_2002330
loop_
_publ_author_name
'Lehmann, U'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ein Beitrag zur Kristallchemie der Kobaltoxoniobate: Co Nb2 O6 mit
Rutilstruktur
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              1225
_journal_page_last               1227
_journal_paper_doi               10.1007/BF00909680
_journal_volume                  111
_journal_year                    1980
_chemical_formula_structural     'Co0.33 Nb0.67 O2'
_chemical_formula_sum            'Co0.33 Nb0.67 O2'
_chemical_name_systematic        'Cobalt niobium oxide (0.33/0.67/2)'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.726
_cell_length_b                   4.726
_cell_length_c                   3.054
_cell_volume                     68.2
_refine_ls_R_factor_all          0.066
_cod_original_formula_sum        'Co.33 Nb.67 O2'
_cod_database_code               2002330
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,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
Co1 Co2+ 2 a 0. 0. 0. 0.33 0 d
Nb1 Nb5+ 2 a 0. 0. 0. 0.67 0 d
O1 O2- 4 f 0.302 0.302 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+ 2.000
Nb5+ 5.000
O2- -2.000
_cod_duplicate_entry 2002294
