#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010915.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_1010915
loop_
_publ_author_name
'Sturdivant, J H'
_publ_section_title              'The Crystal Structure of Columbite'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              88
_journal_page_last               108
_journal_volume                  75
_journal_year                    1930
_chemical_compound_source        'from Norway'
_chemical_formula_analytical     'Fe Nb1.72 Ta.28 O6'
_chemical_formula_structural     'Fe Nb2 O6'
_chemical_formula_sum            'Fe Nb2 O6'
_chemical_name_mineral           Columbite
_chemical_name_systematic        'Iron niobate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2a 2n'
_symmetry_space_group_name_H-M   'P n c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.082
_cell_length_b                   14.238
_cell_length_c                   5.73
_cell_volume                     414.6
_exptl_crystal_density_meas      5.71(1)
_cod_database_code               1010915
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,1/2-z
1/2-x,-y,z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,1/2+z
1/2+x,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
Fe1 Fe2+ 4 c 0.75 0. 0.6 1. 0 d
Nb1 Nb5+ 8 d 0. 0.163 0.075 1. 0 d
O1 O2- 8 d 0.333 0.09 0.155 1. 0 d
O2 O2- 8 d 0.333 0.41 0.15 1. 0 d
O3 O2- 8 d 0.32 0.75 0.17 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe2+ 2.000
Nb5+ 5.000
O2- -2.000
