#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1010197.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_1010197
_chemical_name_systematic          'Diamminezinc chloride'
_chemical_formula_structural       'Zn (N H3)2 Cl2'
_chemical_formula_sum            'Cl2 H6 N2 Zn'
_[local]_cod_chemical_formula_sum_orig 'H6 Cl2 N2 Zn'
_publ_section_title
;
Die Kristallstrukturen von Zn (N H~3~)~2~ Cl~2~ und Zn (N H~3~)~2~
Br~2~.
;
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                249
_journal_page_last                 255
_cell_length_a                     7.78
_cell_length_b                     8.5
_cell_length_c                     8.08
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       534.3
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.09
_symmetry_space_group_name_H-M     'I m a m'
_symmetry_Int_Tables_number        74
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,y,1/2-z'
  '-x,-y,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-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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  Cl1-  -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
  Zn1   Zn2+   4 e 0. 0.389(3) 0.25 1.  0 d
  Cl1   Cl1-   8 h 0. 0.231(3) 0.019(6) 1.  0 d
  N1    N3-    8 i 0.22 0.52 0.25 1.  3 d
  H1    H1+    8 i -1. -1. -1. 3.  0 dum
_cod_database_code 1010197