#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002943.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_2002943
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 O3 Ta1 '
_chemical_formula_sum            'Na O3 Ta'
_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                   7.83729(4)
_cell_length_b                   7.84887(4)
_cell_length_c                   7.85728(4)
_cell_measurement_temperature    803
_cell_volume                     483.332(4)
_diffrn_radiation_type           neutron
_[local]_cod_data_source_file    bm0015.cif
_[local]_cod_data_source_block   Ta803
_[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 O3 Ta1 '
_cod_database_code               2002943
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
Ta .25 .25 .0
Na1 .0 .008(2) .25
Na2 .0 .507(2) .25
O1 .2253(5) .0 .0
O2 .0 .2739(6) .0200(5)
O3 .2737(5) .2478(11) .25