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#$Date: 2025-08-18 17:20:24 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/10/1511038.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_1511038
loop_
_publ_author_name
'Buslaev, Yu.A.'
'Ellern, A.M.'
'Sukhoverkhov, V.F.'
'Struchkov, Yu.T.'
'Antipin, M.Yu.'
_publ_section_title
;
 The crystal structure of difluorochloronium tetrafluoro borate
 ClF2(+)BF4(-) at -120 C
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              307
_journal_page_last               311
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'B Cl F6'
_chemical_name_systematic        '(Cl F2) (B F4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.84
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.644
_cell_length_b                   8.873
_cell_length_c                   9.822
_cell_volume                     438.888
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron0-1_121.cif
_cod_data_source_block           B1Cl1F6
_cod_original_cell_volume        438.8884
_cod_original_formula_sum        'B1 Cl1 F6'
_cod_database_code               1511038
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
F5 F-1 0.7235 -0.0934 0.9361 1 0.0
Cl1 Cl+3 0.83649 0.22377 0.11893 1 0.0
F6 F-1 0.5865 0.1493 0.8684 1 0.0
F2 F-1 1.0205 0.2717 0.2871 1 0.0
B1 B+3 0.5653 -0.0017 0.816 1 0.0
F1 F-1 0.9317 0.3482 0.0415 1 0.0
F3 F-1 0.6338 -0.008 0.6983 1 0.0
F4 F-1 0.2953 -0.0455 0.7638 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040898
