#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002317.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_2002317
loop_
_publ_author_name
'Wichmann, R'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Synthese und Untersuchung von Ni Nb2 O6-Einkristallen mit Columbit -
und Rutilstruktur
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              101
_journal_page_last               105
_journal_paper_doi               10.1002/zaac.19835030810
_journal_volume                  503
_journal_year                    1983
_chemical_formula_structural     '(Ni Nb2 O6).6667'
_chemical_formula_sum            'Nb1.3334 Ni0.6667 O4.0002'
_chemical_name_systematic        'Nickel niobium oxide (0.67/1.33/4)'
_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            1
_cell_length_a                   4.71
_cell_length_b                   4.71
_cell_length_c                   3.038
_cell_volume                     67.4
_refine_ls_R_factor_all          0.067
_cod_original_formula_sum        'Nb1.3334 Ni.6667 O4.0002'
_cod_database_code               2002317
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
Ni1 Ni2+ 2 a 0. 0. 0. 0.3333 0 d
Nb1 Nb5+ 2 a 0. 0. 0. 0.6667 0 d
O1 O2- 4 f 0.303(1) 0.303(1) 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ni2+ 2.000
Nb5+ 5.000
O2- -2.000
