#------------------------------------------------------------------------------
#$Date: 2016-02-16 21:30:59 +0100 (mar 16 de feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/14/4331444.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_4331444
loop_
_publ_author_name
'Fawcett, J.'
'Christe, K.O.'
'Russell, D.R.'
'Thorup, N.'
'David, L.M.'
_publ_section_title
;
 Crystal structure of (N F4)(+) salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2450
_journal_page_last               2454
_journal_paper_doi               10.1021/ic00287a016
_journal_volume                  27
_journal_year                    1988
_chemical_formula_sum            'B F8 N'
_chemical_name_systematic        '(N F4) (B F4)'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.92
_cell_length_b                   9.92
_cell_length_c                   6.23
_cell_volume                     613.072
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            boron0-1_228.cif
_cod_data_source_block           B1F8N1
_cod_original_cell_volume        613.0719
_cod_original_formula_sum        'B1 F8 N1'
_cod_database_code               4331444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+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
N2 N+5 0 0.5 -0.0172 1 0.0
F1 F-1 -0.0641 0.0874 0.1401 1 0.0
N1 N+5 0 0 0 1 0.0
F2 F-1 0.0737 0.5737 0.1221 1 0.0
F4 F-1 0.2789 0.6205 -0.3101 1 0.0
B1 B+3 0.246 0.746 -0.3961 1 0.0
F5 F-1 0.246 0.746 -0.6591 1 0.0
F6 F-1 0.3321 0.8321 -0.3039 1 0.0
F3 F-1 0.0759 0.4241 -0.1668 1 0.0
