#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/08/1540895.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_1540895
loop_
_publ_author_name
'Schaffrath, U.'
'Gruehn, R.'
_publ_section_title
;
 Zur Darstellung und Struktur neuer Modifikationen von CeTa3O9
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              67
_journal_page_last               80
_journal_volume                  565
_journal_year                    1988
_chemical_formula_sum            'La O9 Ta3'
_chemical_name_systematic        'La (Ta3 O9)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5429
_cell_length_b                   7.6491
_cell_length_c                   12.583
_cell_volume                     629.745
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schaffrath_ZAACAB_1988_1481.cif
_cod_data_source_block           La1O9Ta3
_cod_original_cell_volume        629.7451
_cod_original_formula_sum        'La1 O9 Ta3'
_cod_database_code               1540895
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O4 O-2 0.9277 0.25 0.0181 1 0.0
O6 O-2 0.2991 0.25 0.2078 1 0.0
O5 O-2 0.6987 0.25 0.8207 1 0.0
Ta2 Ta+5 0 0.5 0 1 0.0
La1 La+3 0.0475 0.25 0.4798 1 0.0
Ta1 Ta+5 0.2788 0.5022 0.21713 1 0.0
O1 O-2 0.2801 0.472 0.042 1 0.0
O3 O-2 0.5909 0.4868 0.1644 1 0.0
O2 O-2 0.0285 0.4673 0.8446 1 0.0
