#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310617.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_2310617
loop_
_publ_author_name
'Kay, H.F.'
'Miles, J.L.'
_publ_section_title
;
 The structure of cadmium titanate and sodium tantalate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              213
_journal_page_last               218
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Na O3 Ta'
_chemical_name_systematic        'Na (Ta O3)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4941
_cell_length_b                   7.7508
_cell_length_c                   5.513
_cell_volume                     234.764
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kay_ACCRA9_1957_230.cif
_cod_data_source_block           Na1O3Ta1
_cod_original_cell_volume        234.7638
_cod_original_sg_symbol_Hall     'P 2c -2n (y,z,x)'
_cod_original_formula_sum        'Na1 O3 Ta1'
_cod_database_code               2310617
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
x+1/2,y+1/2,-z+1/2
-x+1/2,y,z+1/2
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
O2 O-2 0.29 -0.03 0.29 1 0.0
O3 O-2 0.29 0.56 0.29 1 0.0
O1 O-2 -0.02 0.76 0.52 1 0.0
Ta1 Ta+5 0.5 0 0 1 0.0
Na1 Na+1 0 0.78 0.02 1 0.0
