#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011135.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_1011135
loop_
_publ_author_name
'Hoard, J L'
'Blair, V'
_publ_section_title
;
The crystal structures of rubidium and ammonium fluoborates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1985
_journal_page_last               1988
_journal_paper_doi               10.1021/ja01313a067
_journal_volume                  57
_journal_year                    1935
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     '(N H4) (B F4)'
_chemical_formula_sum            'B F4 H4 N'
_chemical_name_mineral           Barberiite
_chemical_name_systematic        'Ammonium tetrafluoroborate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.06
_cell_length_b                   5.64
_cell_length_c                   7.23
_cell_volume                     369.4
_exptl_crystal_density_meas      1.89
_cod_original_formula_sum        'H4 B F4 N'
_cod_database_code               1011135
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
N1 N3- 4 c 0.308 0.25 0.328 1. 4 d
B1 B3+ 4 c 0.947 0.25 0.697 1. 0 d
F1 F1- 4 c 0.086 0.25 0.603 1. 0 d
F2 F1- 4 c 0.83 0.25 0.563 1. 0 d
F3 F1- 8 d 0.936 0.043 0.811 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
N3- -3.000
B3+ 3.000
F1- -1.000
H1+ 1.000