#------------------------------------------------------------------------------
#$Date: 2015-07-13 03:45:11 +0200 (lun 13 de jul de 2015) $
#$Revision: 149209 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310410.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_2310410
loop_
_publ_author_name
'Iyer, P.N.'
'Smith, A.J.'
_publ_section_title
;
 Double oxides containing niobium, tantalum, or protactinium. III. Systems
 involving the rare earths
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              740
_journal_page_last               746
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'La0.667 O4.25 Ta2'
_chemical_name_systematic        '(La Ta3 O9)0.6667'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.918
_cell_length_b                   3.918
_cell_length_c                   7.913
_cell_volume                     121.470
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Iyer_ACCRA9_1967_1397.cif
_cod_data_source_block           La0.667O4.25Ta2
_cod_original_cell_volume        121.4703
_cod_database_code               2310410
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
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
La1 La+3 0 0 0 0.667 0.0
O1 O-2 0 0.5 0.22617 1 0.0
Ta1 Ta+5 0.5 0.5 0.2604 1 0.0
O3 O-2 0.505 0.51 0.5 0.125 0.0
O2 O-2 0.505 0.51 0 0.125 0.0
