#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001161.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_1001161
_chemical_name_systematic          'Cadmium arsenic chloride *'
_chemical_formula_structural       'Cd2 As Cl2'
_chemical_formula_sum              'As Cd2 Cl2'
_publ_section_title
;
Structure du Dichlorure d'Arsenic et de Dicadmium
;
loop_
_publ_author_name
  'Rebbah, A'
  'Yazbeck, J'
  'Leclaire, A'
  'Deschanvres, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    36
_journal_year                      1980
_journal_page_first                771
_journal_page_last                 773
_cell_length_a                     7.858(4)
_cell_length_b                     9.193(9)
_cell_length_c                     8.189(5)
_cell_angle_alpha                  90
_cell_angle_beta                   119.95(8)
_cell_angle_gamma                  90
_cell_volume                       512.6
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.86
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cl1-  -1.000
  Cd2+   2.000
  As2-  -2.000
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
  Cl1   Cl1-   4 e 0.2456(2) -0.0273(1) 0.1966(3) 1.  0 d
  Cl2   Cl1-   4 e 0.4187(2) 0.3051(2) 0.4212(2) 1.  0 d
  Cd1   Cd2+   4 e 0.03728(7) 0.19805(5) 0.20516(6) 1.  0 d
  Cd2   Cd2+   4 e -0.44076(6) 0.08352(7) 0.26177(8) 1.  0 d
  As1   As2-   4 e -0.07164(6) 0.11681(5) 0.43729(6) 1.  0 d
_refine_ls_R_factor_all            0.099