#------------------------------------------------------------------------------
#$Date: 2016-11-02 04:07:49 +0200 (Wed, 02 Nov 2016) $
#$Revision: 187737 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/44/1544431.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1544431
loop_
_publ_author_name
'Toda, K.'
'Uematsu, K.'
'Sato, M.'
_publ_section_title
;
 Structure determination of new layered perovskite compound, NaLaTa2O7,
 synthesized by ion-exchange reaction
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              482
_journal_page_last               485
_journal_volume                  105
_journal_year                    1997
_chemical_formula_sum            'H3.8 La Na O8.9 Ta2'
_chemical_name_common            'NaLaTa2O7 1.9H2O'
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8950(2)
_cell_length_b                   3.8950(2)
_cell_length_c                   25.8350(2)
_cell_volume                     391.94(3)
_cod_data_source_file            NaLaTa2O7-1.9H2O.cif
_cod_data_source_block           NaLaTa2O7-1.9H2O
_cod_original_formula_sum        'Na La Ta2 H3.8 O8.9'
_cod_database_code               1544431
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-y, x, z'
'y, -x, -z'
'y, -x, z'
'-y, x, -z'
'-x, y, -z'
'x, -y, z'
'x, -y, -z'
'-x, y, z'
'y, x, -z'
'-y, -x, z'
'-y, -x, -z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Na 0.5000 0.000000 0.000000 0.210(3) Biso 3.000000 Na
La 1.0 0.000000 0.000000 0.000000 Biso 0.400000 La
Ta 1.0 0.000000 0.000000 0.4126(2) Biso 0.100000 Ta
O1 1.0 0.000000 0.000000 0.5000(2) Biso 0.100000 O
O2 1.0 0.000000 0.500000 0.0747(2) Biso 0.100000 O
O3 1.0 0.000000 0.000000 0.348(3) Biso 0.100000 O
Ow 0.4750 0.000000 0.500000 0.291(5) Biso 0.400000 O
