#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010011.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_1010011
_chemical_name_systematic          'Diamminecadmium bromide'
_chemical_formula_structural       'Cd (N H3)2 Br2'
_chemical_formula_sum            'Br2 Cd H6 N2'
_[local]_cod_chemical_formula_sum_orig 'H6 Br2 Cd N2'
_publ_section_title
;
Die Kristallstruktur der Cadmium- und Quecksilber- Diammin-Dihalogenide
;
loop_
_publ_author_name
  'MacGillavry, C H'
  'Bijvoet, J M'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    94
_journal_year                      1936
_journal_page_first                231
_journal_page_last                 245
_cell_length_a                     8.55
_cell_length_b                     8.55
_cell_length_c                     4.13
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       301.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C m m m'
_symmetry_Int_Tables_number        65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  Br1-  -1.000
  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
  Cd1   Cd2+   2 a 0. 0. 0. 1.  0 d
  Br1   Br1-   4 h 0.233(5) 0. 0.5 1.  0 d
  N1    N3-    4 i 0. 0.25 0. 1.  3 d
  H1    H1+   16 r -1. -1. -1. 0.75  0 dum
_cod_database_code 1010011