#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527388.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_1527388
loop_
_publ_author_name
'Galasso, F.'
'Darby, W.'
_publ_section_title
;
 Preparation, structure, and properties of K2 Nb O3 F
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1318
_journal_page_last               1320
_journal_volume                  66
_journal_year                    1962
_chemical_formula_sum            'F K2 Nb O3'
_chemical_name_systematic        'K2 Nb O3 F'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.956
_cell_length_b                   3.956
_cell_length_c                   13.67
_cell_volume                     213.935
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Galasso_JPCHAX_1962_1623.cif
_cod_data_source_block           F1K2Nb1O3
_cod_original_cell_volume        213.9346
_cod_original_formula_sum        'F1 K2 Nb1 O3'
_cod_database_code               1527388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
K1 K+1 0 0 0.35 1 0.0
Nb1 Nb+5 0 0 0 1 0.0
O1 O-2 0.5 0 0 1 0.0
O2 O-2 0 0 0.151 0.5 0.0
F1 F-1 0 0 0.151 0.5 0.0
