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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526352.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_1526352
loop_
_publ_author_name
'Hong, Y.-S.'
'Han, C.-H.'
'Kim, K.'
_publ_section_title
;
 Structural characterization of new layered perovskites M La2 Ti2 Ta O10
 (M = Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x = 2, 0.9, 0)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              290
_journal_page_last               298
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'La2 Na O10 Ta Ti2'
_chemical_name_systematic        'Na La2 Ti2 Ta O10'
_space_group_IT_number           139
_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                   3.8356
_cell_length_b                   3.8356
_cell_length_c                   29.733
_cell_volume                     437.427
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hong_JSSCBI_2001_1551.cif
_cod_data_source_block           La2Na1O10Ta1Ti2
_cod_original_cell_volume        437.4267
_cod_original_formula_sum        'La2 Na1 O10 Ta1 Ti2'
_cod_database_code               1526352
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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 0 0.0614 1 0.0
La1 La+3 0 0 0.4267 1 0.0
O3 O-2 0 0.5 0.1332 1 0.0
Ta1 Ta+5 0 0 0.1475 0.5 0.0
Ti1 Ti+4 0 0 0 1 0.0
Na1 Na+1 0 0.5 0.25 0.5 0.0
O4 O-2 0 0 0.2077 1 0.0
O1 O-2 0.121 0.5 0 0.5 0.0
Ti2 Ti+4 0 0 0.1475 0.5 0.0
