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#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/16/1001625.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_1001625
_chemical_name_systematic          'Tricadmium arsenide trichloride'
_chemical_formula_structural       'Cd3 As Cl3'
_chemical_formula_sum              'As Cd3 Cl3'
_publ_section_title
;
Structure de Cd3 As Cl3 et Donnees Cristallographiques de Cd3 P Cl3
;
loop_
_publ_author_name
  'Rebbah, A'
  'Yazbeck, J'
  '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                1744
_journal_page_last                 1746
_cell_length_a                     13.144(5)
_cell_length_b                     8.102(2)
_cell_length_c                     7.082(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       754.2
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.58(3)
_symmetry_space_group_name_H-M     'P n m a'
_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'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  As3-  -3.000
  Cl1-  -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+   4 c 0.08781(5) 0.25 0.49734(7) 1.  0 d
  Cd2   Cd2+   4 a 0. 0. 0. 1.  0 d
  Cd3   Cd2+   4 c 0.25854(5) 0.25 0.00100(9) 1.  0 d
  As1   As3-   4 c 0.08218(5) 0.25 0.14361(9) 1.  0 d
  Cl1   Cl1-   4 c 0.4179(1) 0.25 -0.1926(2) 1.  0 d
  Cl2   Cl1-   8 d 0.1690(1) 0.4784(2) -0.3054(2) 1.  0 d
_refine_ls_R_factor_all            0.056
_cod_database_code 1001625