#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011135.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
_chemical_name_systematic          'Ammonium tetrafluoroborate'
_chemical_name_mineral             'Barberiite'
_chemical_compound_source          'synthetic from solution'
_chemical_formula_structural       '(N H4) (B F4)'
_chemical_formula_sum            'B F4 H4 N'
_[local]_cod_chemical_formula_sum_orig 'H4 B F4 N'
_publ_section_title
;
The crystal structures of rubidium and ammonium fluoborates
;
loop_
_publ_author_name
  'Hoard, J L'
  'Blair, V'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    57
_journal_year                      1935
_journal_page_first                1985
_journal_page_last                 1988
_cell_length_a                     9.06
_cell_length_b                     5.64
_cell_length_c                     7.23
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       369.4
_cell_formula_units_Z              4
_exptl_crystal_density_meas        1.89
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  B3+    3.000
  F1-   -1.000
  H1+    1.000
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
  H1    H1+    8 d -1. -1. -1. 2.  0 dum
_cod_database_code 1011135