#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531431.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_1531431
loop_
_publ_author_name
'Hewat, A.W.'
_publ_section_title
;
 Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in
 perovskite potassium niobate. Nneutron powder profile refinement of the
 structures
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              2559
_journal_page_last               2572
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'K Nb O3'
_chemical_name_systematic        'K (Nb O3)'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.996
_cell_length_b                   3.996
_cell_length_c                   4.063
_cell_volume                     64.878
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Hewat_JPSOAW_1973_648.cif
_cod_data_source_block           K1Nb1O3
_cod_original_cell_volume        64.87805
_cod_original_formula_sum        'K1 Nb1 O3'
_cod_database_code               1531431
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
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 0.5 0.5 0.5 1 0.0
O1 O-2 0.5 0.5 0.044 1 0.0
K1 K+1 0 0 0.018 1 0.0
O2 O-2 0.5 0 0.54 1 0.0
