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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530063.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_1530063
loop_
_publ_author_name
'Harrison, W.T.A.'
'Cheetham, A.K.'
_publ_section_title
;
 Structural and Magnetic Properties of Fe Nb O4-II
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              523
_journal_page_last               527
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Fe Nb O4'
_chemical_name_systematic        'Fe (Nb O4)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6496
_cell_length_b                   5.6181
_cell_length_c                   5.0058
_cell_volume                     130.761
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Harrison_MRBUAC_1989_1839.cif
_cod_data_source_block           Fe1Nb1O4
_cod_original_cell_volume        130.7611
_cod_original_formula_sum        'Fe1 Nb1 O4'
_cod_database_code               1530063
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Nb1 Nb+5 0 0.1747 0.25 0.5 0.0
Fe1 Fe+3 0 0.1747 0.25 0.5 0.0
O1 O-2 0.271 0.385 0.0817 1 0.0
