#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/09/1510921.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_1510921
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 Ce Cl O4'
_chemical_name_systematic        'Ce Cl (B O2)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.152
_cell_angle_beta                 89.206
_cell_angle_gamma                72.048
_cell_formula_units_Z            2
_cell_length_a                   4.2174
_cell_length_b                   6.5763
_cell_length_c                   8.1221
_cell_volume                     212.196
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_45.cif
_cod_data_source_block           B2Ce1Cl1O4
_cod_original_cell_volume        212.1961
_cod_original_formula_sum        'B2 Ce1 Cl1 O4'
_cod_database_code               1510921
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Ce1 Ce+3 0.21114 0.03249 0.22181 1 0.0
B1 B+3 0.4408 0.435 0.1949 1 0.0
O2 O-2 0.8346 0.8483 0.0807 1 0.0
O1 O-2 0.6331 0.2357 0.2106 1 0.0
O3 O-2 0.5192 0.6263 0.1823 1 0.0
B2 B+3 0.8354 0.6489 0.1497 1 0.0
O4 O-2 0.097 0.4624 0.1772 1 0.0
Cl1 Cl-1 0.8532 0.7973 0.4572 1 0.0
