#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/72/1537260.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_1537260
loop_
_publ_author_name
'Ruedorff, W.'
'Krug, D.'
_publ_section_title
;
 Alkaliniob(IV) dioxidfluoride
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              211
_journal_page_last               217
_journal_volume                  329
_journal_year                    1964
_chemical_formula_sum            'F Na Nb O2'
_chemical_name_systematic        'Na Nb O2 F'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.507
_cell_length_b                   5.52
_cell_length_c                   7.819
_cell_volume                     237.687
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ruedorff_ZAACAB_1964_714.cif
_cod_data_source_block           F1Na1Nb1O2
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'F1 Na1 Nb1 O2'
_cod_database_code               1537260
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
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
Na1 Na+1 -0.01 0.04 0.25 1 0.0
Nb1 Nb+4 0.5 0 0 1 0.0
O1 O-2 -0.28 0.27 0.04 1 0.0
F1 F-1 0.05 0.47 0.25 1 0.0
