#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/02/2310269.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310269
loop_
_publ_author_name
'Athee, M.'
'Hewat, A.W.'
_publ_section_title
;
 Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions
 by Neutron Powder Diffraction
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              309
_journal_page_last               317
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'K0.02 Na0.98 Nb O2'
_chemical_name_systematic        'Na0.98 K0.02 Nb O3'
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P -2 2'
_symmetry_space_group_name_H-M   'P 2 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.9004
_cell_length_b                   7.8362
_cell_length_c                   7.9376
_cell_volume                     491.410
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Athee_ACACBN_1978_22.cif
_cod_data_source_block           K0.02Na0.98Nb1O2
_cod_original_cell_volume        491.4098
_cod_original_sg_symbol_Hall     'P 2 -2 (z,x,y)'
_cod_original_formula_sum        'K0.02 Na0.98 Nb1 O2'
_cod_database_code               2310269
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,-y,z
x,y,-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
K8 K+1 0.0099 0.5 0 0.02 0.0
K6 K+1 0.5099 0.5 0 0.02 0.0
Na5 Na+1 0.4901 0 0.5 0.98 0.0
K1 K+1 -0.0099 0 0 0.02 0.0
Na3 Na+1 0.4901 0 0 0.98 0.0
Na4 Na+1 0.5099 0.5 0.5 0.98 0.0
O1 O-2 0.2185 0 0.2307 1 0.0
Nb2 Nb+5 0.7659 0.2466 0.7529 1 0.0
O6 O-2 0 0.185 0.7745 1 0.0
O2 O-2 0.7185 0 0.7307 1 0.0
Na8 Na+1 0.0099 0.5 0 0.98 0.0
K7 K+1 0.9901 0 0.5 0.02 0.0
Na1 Na+1 -0.0099 0 0 0.98 0.0
Na6 Na+1 0.5099 0.5 0 0.98 0.0
K5 K+1 0.4901 0 0.5 0.02 0.0
O5 O-2 0.5 0.2185 0.2745 1 0.0
K2 K+1 0.0099 0.5 0.5 0.02 0.0
O4 O-2 0.7255 0.2307 0 1 0.0
Na7 Na+1 0.9901 0 0.5 0.98 0.0
O3 O-2 0.2255 0.2307 0.5 1 0.0
K4 K+1 0.5099 0.5 0.5 0.02 0.0
K3 K+1 0.4901 0 0 0.02 0.0
Nb1 Nb+5 0.2659 0.2466 0.2529 1 0.0
Na2 Na+1 0.0099 0.5 0.5 0.98 0.0
