#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001626.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_1001626
_chemical_name_systematic          'Tricadmium phosphide trichloride'
_chemical_formula_structural       'Cd3 P Cl3'
_chemical_formula_sum              'Cd3 Cl3 P'
_publ_section_title
;
Etude structurale des composes Cd3 Y X3 (Y=As, P, X=Cl, Br, I)
;
loop_
_publ_author_name
  'Rebbah, A'
  'Yazbeck, J'
  'Deschanvres, A'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_coden_ASTM                RVCMA8
_journal_volume                    18
_journal_year                      1981
_journal_page_first                43
_journal_page_last                 53
_cell_length_a                     7.633(4)
_cell_length_b                     7.633(4)
_cell_length_c                     7.133(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       359.9
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.4
_symmetry_space_group_name_H-M     'P -3'
_symmetry_Int_Tables_number        147
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  P3-   -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+   1 b 0. 0. 0.5 1.  0 d
  Cd2   Cd2+   3 e 0.5 0. 0. 1.  0 d
  Cd3   Cd2+   2 d 0.3333 0.6667 0.4935(6) 1.  0 d
  P1    P3-    2 d 0.3333 0.6667 -0.1597(9) 1.  0 d
  Cl1   Cl1-   6 g 0.1669(7) 0.3324(6) 0.3316(7) 1.  0 d
_refine_ls_R_factor_all            0.1