#------------------------------------------------------------------------------
#$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/29/2002945.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_2002945
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'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.55465(2)
_cell_length_b                   5.55465(2)
_cell_length_c                   3.93426(2)
_cell_measurement_temperature    878
_cell_volume                     121.3882(9)
_diffrn_radiation_type           neutron
_[local]_cod_data_source_file    bm0015.cif
_[local]_cod_data_source_block   Ta878
_[local]_cod_chemical_formula_sum_orig 'Na1 O3  Ta1 '
_cod_database_code               2002945
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ta .0 .0 .0
Na .0 .5 .5
O1 .0 .0 .5
O2 .2713(2) .2287(2) .0