#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541939.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_1541939
loop_
_publ_author_name
'Andersson, S.'
_publ_section_title
;
 The Crystal Structure of Nb3 O7 F
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2339
_journal_page_last               2344
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'F Nb3 O7'
_chemical_name_systematic        'Nb3 O7 F'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.67
_cell_length_b                   3.833
_cell_length_c                   3.927
_cell_volume                     311.129
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Andersson_ACSAA4_1964_725.cif
_cod_data_source_block           F1Nb3O7
_cod_original_cell_volume        311.1288
_cod_original_formula_sum        'F1 Nb3 O7'
_cod_database_code               1541939
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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 0 1 0.0
F1 F-1 0.5 0 0 0.125 0.0
F2 F-1 0 0 0.5 0.125 0.0
O4 O-2 0.71 0 0 0.875 0.0
F3 F-1 0.094 0 0 0.125 0.0
O3 O-2 0.094 0 0 0.875 0.0
O2 O-2 0 0 0.5 0.875 0.0
O1 O-2 0.5 0 0 0.875 0.0
F5 F-1 0.189 0 0.5 0.125 0.0
O5 O-2 0.189 0 0.5 0.875 0.0
Nb2 Nb+5 0.1836 0 0 1 0.0
F4 F-1 0.71 0 0 0.125 0.0
