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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/1/53/07/1530715.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_1530715
loop_
_publ_author_name
'Schaffrath, U.'
'Gruehn, R.'
_publ_section_title
;
 Zur Darstellung und Struktur neuer Verbindungen Ln3 M O5 X Cl3 (Ln = La,
 Ce, Pr, Nd, Th; M = Ta, Nb; X = O, OH, F)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              61
_journal_page_last               73
_journal_volume                  137
_journal_year                    1988
_chemical_formula_sum            'Ce3 Cl3 O6 Ta'
_chemical_name_systematic        'Ce3 Ta O6 Cl3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.317
_cell_length_b                   9.317
_cell_length_c                   5.356
_cell_volume                     402.646
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Schaffrath_JCOMAH_1988_1589.cif
_cod_data_source_block           Ce3Cl3O6Ta1
_cod_original_formula_sum        'Ce3 Cl3 O6 Ta1'
_cod_database_code               1530715
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-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
Ta1 Ta+5 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.5219 0.1571 0.5122 1 0.0
Ce1 Ce+3 0.3174 0.9098 0.75 1 0.0
Cl1 Cl-1 0.2412 0.189 0.75 1 0.0
