#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/11/1001135.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_1001135
_chemical_name_systematic          'Cadmium phosphide iodide (4/2/3)'
_chemical_formula_structural       'Cd4 P2 I3'
_chemical_formula_sum              'Cd4 I3 P2'
_publ_section_title                'Structure de Cd~4~ P~2~ I~3~'
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                1747
_journal_page_last                 1749
_cell_length_a                     12.890(2)
_cell_length_b                     12.725(2)
_cell_length_c                     12.654(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2075.6
_cell_formula_units_Z              8
_exptl_crystal_density_meas        5.74(3)
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  I0     0.000
  Cd0    0.000
  P0     0.000
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
  I1    I0     8 c 0.18122(8) 0.42959(8) 0.25292(8) 1.  0 d
  I2    I0     8 c 0.24849(9) 0.17600(8) 0.43689(8) 1.  0 d
  I3    I0     8 c 0.42516(8) 0.24702(9) 0.18276(8) 1.  0 d
  Cd1   Cd0    8 c 0.2854(1) 0.0735(2) 0.0410(1) 1.  0 d
  Cd2   Cd0    8 c 0.0928(1) 0.0745(1) 0.29681(9) 1.  0 d
  Cd3   Cd0    8 c 0.0579(1) 0.2902(1) 0.0881(1) 1.  0 d
  Cd4   Cd0    8 c 0.0178(1) 0.4304(1) 0.4053(1) 1.  0 d
  P1    P0     8 c 0.1020(3) 0.0982(3) 0.0964(3) 1.  0 d
  P2    P0     8 c 0.4524(3) 0.4520(3) 0.4469(3) 1.  0 d
_refine_ls_R_factor_all            0.057
_cod_database_code 1001135