#------------------------------------------------------------------------------
#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/29/2002942.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_2002942
loop_
_publ_author_name
'Darlington, C. N. W.'
'Knight, K. S.'
_publ_section_title
;
 High-temperature phases of NaNbO~3~ and NaTaO~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              24
_journal_page_last               30
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Na1 Nb1 O3 '
_chemical_formula_sum            'Na Nb O3'
_space_group_IT_number           17
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.85758(3)
_cell_length_b                   7.86793(3)
_cell_length_c                   7.8765(3)
_cell_measurement_temperature    813
_cell_volume                     486.948(19)
_diffrn_radiation_type           neutron
_[local]_cod_data_source_file    bm0015.cif
_[local]_cod_data_source_block   Nb813
_[local]_cod_cif_authors_sg_H-M  'C m c m'
_[local]_cod_cif_authors_sg_Hall '-C 2c 2'
_[local]_cod_chemical_formula_sum_orig 'Na1 Nb1 O3  '
_cod_database_code               2002942
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nb .25 .25 .0
Na1 .0 .0022(14) .25
Na2 .0 .5026(14) .25
O1 .2230(4) .0 .0
O2 .0 .2741(4) .0203(3)
O3 .2710(3) .2489(7) .25
_journal_paper_doi 10.1107/S010876819800963X