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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/11/1001161.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
loop_
_publ_author_name
'Rebbah, A'
'Yazbeck, J'
'Leclaire, A'
'Deschanvres, A'
_publ_section_title
;
Structure du Dichlorure d'Arsenic et de Dicadmium
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              771
_journal_page_last               773
_journal_paper_doi               10.1107/S0567740880004505
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Cd2 As Cl2'
_chemical_formula_sum            'As Cd2 Cl2'
_chemical_name_systematic        'Cadmium arsenic chloride *'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.95(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.858(4)
_cell_length_b                   9.193(9)
_cell_length_c                   8.189(5)
_cell_volume                     512.6
_exptl_crystal_density_meas      4.86
_refine_ls_R_factor_all          0.099
_cod_database_code               1001161
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cl1- -1.000
Cd2+ 2.000
As2- -2.000
