#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/48/1534870.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_1534870
loop_
_publ_author_name
'Bauer, J.'
'Ansel, D.'
'Bonhomme, F.'
'Gosselin, P.'
_publ_section_title
;
 Cerium diboride carbide: A new rare-earth borocarbide with the trigonal
 ThB2C structure
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              109
_journal_page_last               120
_journal_volume                  157
_journal_year                    1990
_chemical_formula_sum            'C B2 Ce'
_chemical_name_systematic        'Ce B2 C'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   6.6138
_cell_length_b                   6.6138
_cell_length_c                   11.2594
_cell_volume                     426.528
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bauer_JCOMAH_1990_1754.cif
_cod_data_source_block           C1B2Ce1
_cod_original_cell_volume        426.5285
_cod_original_formula_sum        'C1 B2 Ce1'
_cod_database_code               1534870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
B1 B 0.2762 0 0.5 1 0.0
Ce1 Ce 0 0 0 1 0.0
C1 C 0.5 0 0.5 1 0.0
Ce2 Ce 0 0 0.3156 1 0.0
