#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/83/1538324.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_1538324
loop_
_publ_author_name
'Mootz, D.'
'Steffen, M.'
_publ_section_title
;
 Kristallstrukturen von Bortrifluorid und seinen 1:1-Verbindungen mit
 Wasser und Methanol, Hydroxo- und Methoxotrifluoroborsaeure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              171
_journal_page_last               180
_journal_volume                  483
_journal_year                    1981
_chemical_formula_sum            'B F3'
_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                 107.6
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.779
_cell_length_b                   14
_cell_length_c                   7.43
_cell_volume                     473.842
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mootz_ZAACAB_1981_271.cif
_cod_data_source_block           B1F3
_cod_original_cell_volume        473.8421
_cod_original_formula_sum        'B1 F3'
_cod_database_code               1538324
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
F4 F-1 0.7521 0.2859 0.7694 1 0.0
B2 B+3 0.8604 0.3633 0.7328 1 0.0
B1 B+3 0.4797 0.3845 0.2219 1 0.0
F6 F-1 1.0684 0.3629 0.6548 1 0.0
F5 F-1 0.7683 0.4436 0.7797 1 0.0
F2 F-1 0.4588 0.3716 0.3906 1 0.0
F1 F-1 0.264 0.3545 0.078 1 0.0
F3 F-1 0.6988 0.424 0.193 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047389
