#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/61/9016173.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9016173
loop_
_publ_author_name
'Vousden, P.'
_publ_section_title
;
 The structure of ferroelectric sodium niobate at room temperature
 Note: this is a possible polymorph of lueshite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              545
_journal_page_last               551
_journal_paper_doi               10.1107/S0365110X51001768
_journal_volume                  4
_journal_year                    1951
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb O3'
_chemical_name_mineral           Lueshite
_space_group_IT_number           17
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.504
_cell_length_b                   5.568
_cell_length_c                   15.52
_cell_formula_units_Z            8
_cell_volume                     475.630
_database_code_amcsd             0018662
_exptl_crystal_density_diffrn    4.578
_cod_database_code               9016173
loop_
_space_group_symop_operation_xyz
x,y,z
-x,y,1/2-z
x,-y,-z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.00000 0.51900 0.25000
Na2 0.50000 -0.01900 0.25000
Na3 0.51900 0.00000 0.50000
Na4 -0.01900 0.50000 0.50000
Nb1 0.01400 0.00500 0.37500
Nb2 0.51400 0.50500 0.37500
O1 0.25000 0.25000 0.37500
O2 0.75000 0.25000 0.37500
O3 0.25000 0.75000 0.37500
O4 0.75000 0.75000 0.37500
O5 0.00000 0.02500 0.25000
O6 0.50000 0.47500 0.25000
O7 0.02500 0.00000 0.50000
O8 0.47500 0.50000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018662
