#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010255.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_1010255
_chemical_name_systematic          'Diammonium beryllium fluoride'
_chemical_formula_structural       '(N H4)2 Be F4'
_chemical_formula_sum            'Be F4 H8 N2'
_[local]_cod_chemical_formula_sum_orig 'H8 Be F4 N2'
_publ_section_title
;
The Crystal Structure of Ammonium Beryllium Fluoride, (N H~4~)~2~ Be
F~4~
;
loop_
_publ_author_name                  'Hultgren, R'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    88
_journal_year                      1934
_journal_page_first                233
_journal_page_last                 237
_cell_length_a                     5.8(1)
_cell_length_b                     10.2(1)
_cell_length_c                     7.5(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       443.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m c n'
_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'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  N3-   -3.000
  Be2+   2.000
  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 0.25 0.393 0.675 1.  4 d
  N2    N3-    4 c 0.25 -0.325 -0.046 1.  4 d
  Be1   Be2+   4 c 0.25 0.417 0.263 1.  0 d
  F1    F1-    4 c 0.25 0.39 0.051 1.  0 d
  F2    F1-    4 c 0.25 0.573 0.3 1.  0 d
  F3    F1-    8 d 0.024 0.353 0.35 1.  0 d
  H1    H1+    4 c -1. -1. -1. 8.  0 dum