#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510977.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_1510977
loop_
_publ_author_name
'Nikelski, T.'
'Schleid, T.'
_publ_section_title
;
 Zwei Cer(III)-Chlorid-Oxoborate im Vergleich: Ce3 Cl3 (B O3)2 und Ce Cl
 (B O2)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2200
_journal_page_last               2205
_journal_paper_doi               10.1002/zaac.200300208
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'B2 Ce3 Cl3 O6'
_chemical_name_systematic        'Ce3 Cl3 (B O3)2'
_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                   9.2008
_cell_length_b                   9.2008
_cell_length_c                   5.8079
_cell_volume                     425.795
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_61.cif
_cod_data_source_block           B2Ce3Cl3O6
_cod_original_cell_volume        425.7954
_cod_database_code               1510977
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
O1 O-2 0.5359 0.3651 0.0018 1 0.0
Ce1 Ce+3 0.38622 0.05095 0.25 1 0.0
B1 B+3 0.3333 0.6667 0.0143 1 0.0
Cl1 Cl-1 0.20297 0.2396 0.25 1 0.0
