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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/1/52/98/1529841.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_1529841
loop_
_publ_author_name
'de Kozak, A.'
'Grottel, M.'
'Pajak, Z.'
'Koziol, A.E.'
_publ_section_title
;
 An X-ray and NMR cross-relaxation study of structure and ion motions in C
 (N H2)3 B F4
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              5433
_journal_page_last               5447
_journal_volume                  20
_journal_year                    1987
_chemical_formula_sum            'C H6 B F4 N3'
_chemical_name_systematic        '(C (N H2)3) (B F4)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                90.09
_cell_angle_beta                 90.09
_cell_angle_gamma                90.09
_cell_formula_units_Z            1
_cell_length_a                   5.265
_cell_length_b                   5.265
_cell_length_c                   5.265
_cell_volume                     145.946
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            deKozak_JPSOAW_1987_1517.cif
_cod_data_source_block           C1H6B1F4N3
_cod_original_cell_volume        145.9464
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'C1 H6 B1 F4 N3'
_cod_database_code               1529841
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
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+3 0.41 0.41 0.41 1 0.0
F1 F-1 0.461 0.461 0.161 1 0.0
H1 H+1 0.283 -0.022 -0.205 1 0.0
N1 N-3 -0.101 -0.101 0.206 1 0.0
F2 F-1 0.565 0.565 0.565 1 0.0
C1 C+4 0 0 0 1 0.0
