#------------------------------------------------------------------------------
#$Date: 2013-11-26 15:37:51 +0200 (Tue, 26 Nov 2013) $
#$Revision: 91022 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010210.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_1010210
_chemical_name_systematic          'Ammonium pentabromodiplumbate(II)'
_chemical_formula_structural       '(N H4) Pb2 Br5'
_chemical_formula_sum            'Br5 H4 N Pb2'
_[local]_cod_chemical_formula_sum_orig 'H4 Br5 N Pb2'
_publ_section_title
;
The Valency Angle of Bivalent Lead: The Crystal Structure of Ammonium,
Rubidium, and Potassium Pentabromodiplumbites
;
loop_
_publ_author_name
  'Powell, H M'
  'Tasker, H S'
_journal_name_full                 'Journal of the Chemical Society'
_journal_coden_ASTM                JCSOA9
_journal_volume                    1937
_journal_year                      1937
_journal_page_first                119
_journal_page_last                 123
_cell_length_a                     8.39
_cell_length_b                     8.39
_cell_length_c                     14.34
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1009.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 4/m c m'
_symmetry_Int_Tables_number        140
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  'y,x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Br1-  -1.000
  Pb2+   2.000
  N3-   -3.000
  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
  Br1   Br1-  16 l 0.163(3) 0.663(3) 0.363(1) 1.  0 d
  Pb1   Pb2+   8 h 0.158(2) 0.658(2) 0. 1.  0 d
  N1    N3-    4 a 0. 0. 0.25 1.  4 d
  Br2   Br1-   4 b 0. 0. 0. 1.  0 d
_cod_database_code 1010210