#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/50/1005024.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_1005024
_chemical_name_systematic          'Cerium palladium arsenide (1/3/2)'
_chemical_formula_structural       'Ce Pd3 As2'
_chemical_formula_sum              'As2 Ce Pd3'
_publ_section_title                'Physical properties of Ce Pd3 As2'
loop_
_publ_author_name
  'Gordon, R A'
  'DiSalvo, F J'
  'Poettgen, R'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    236
_journal_year                      1996
_journal_page_first                86
_journal_page_last                 91
_cell_length_a                     16.67299(200)
_cell_length_b                     4.1205(4)
_cell_length_c                     9.998(1)
_cell_angle_alpha                  90
_cell_angle_beta                   108.045(4)
_cell_angle_gamma                  90
_cell_volume                       653.1
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ce3+   3.000
  Pd1+   1.000
  As3-  -3.000
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
  Ce1   Ce3+   4 i 0.15598(3) 0. 0.70284(6) 1.  0 d
  Ce2   Ce3+   2 a 0. 0. 0. 1.  0 d
  Pd1   Pd1+   4 i 0.04476(5) 0. 0.33466(8) 1.  0 d
  Pd2   Pd1+   4 i 0.22065(5) 0. 0.39307(8) 1.  0 d
  Pd3   Pd1+   4 i 0.32235(5) 0. 0.03232(8) 1.  0 d
  Pd4   Pd1+   4 i 0.62616(5) 0. 0.20334(8) 1.  0 d
  Pd5   Pd1+   2 d 0. 0.5 0.5 1.  0 d
  As1   As3-   4 i 0.19986(6) 0. 0.12909(11) 1.  0 d
  As2   As3-   4 i 0.36393(6) 0. 0.54658(10) 1.  0 d
  As3   As3-   4 i 0.46347(6) 0. 0.21707(11) 1.  0 d
_refine_ls_R_factor_all            0.032
_cod_database_code 1005024