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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/7/22/27/7222795.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_7222795
loop_
_publ_author_name
'Zeng, H.Y.'
'Zheng, C.'
'Okudera, H.'
'Mattausch, H.J.'
'Kremer, R.K.'
'Simon, A.'
_publ_section_title
;
 La3Cl3BC - Structure, Bonding and Electrical Conductivity
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              499
_journal_page_last               504
_journal_volume                  60
_journal_year                    2005
_chemical_formula_sum            'C B Cl3 La3'
_chemical_name_systematic        'La3 Cl3 B C'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.82
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.204
_cell_length_b                   3.8824
_cell_length_c                   11.328
_cell_volume                     354.396
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Zeng_ZNBSEN_2005_1932.cif
_cod_data_source_block           C1B1Cl3La3
_cod_original_formula_sum        'C1 B1 Cl3 La3'
_cod_database_code               7222795
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
Cl2 Cl 0.6459 -0.25 0.59389 1 0.0
La2 La 0.28168 -0.25 0.59927 1 0.0
Cl1 Cl 0.0917 0.25 0.12468 1 0.0
La1 La 0.61087 0.25 0.80914 1 0.0
Cl3 Cl 0.0235 -0.75 0.63356 1 0.0
La3 La 0.2036 0.25 0.88607 1 0.0
B1 B 0.5286 0.25 1.0399 1 0.0
C1 C 0.3931 -0.25 0.8168 1 0.0
