#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510986.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_1510986
loop_
_publ_author_name
'Atoji, M.'
'Wheatley, P.J.'
'Lipscomb, W.N.'
_publ_section_title
;
 Molecular Structure of Diborane Tetrachloride, B2 Cl4
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1176
_journal_page_last               1176
_journal_volume                  23
_journal_year                    1955
_chemical_formula_sum            'B2 Cl4'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9
_cell_length_b                   6.281
_cell_length_c                   7.69
_cell_volume                     574.781
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            boron_70.cif
_cod_data_source_block           B2Cl4
_cod_original_cell_volume        574.7806
_cod_database_code               1510986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,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
Cl1 Cl-1 0.09 -0.2363 0.181 1 0.0
Cl2 Cl-1 -0.1475 -0.2268 0.0507 1 0.0
B1 B+2 -0.014 -0.12 0.059 1 0.0
