#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Gordon, R A'
'DiSalvo, F J'
'Poettgen, R'
_publ_section_title              'Physical properties of Ce Pd3 As2'
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              86
_journal_page_last               91
_journal_paper_doi               10.1016/0925-8388(95)02171-X
_journal_volume                  236
_journal_year                    1996
_chemical_formula_structural     'Ce Pd3 As2'
_chemical_formula_sum            'As2 Ce Pd3'
_chemical_name_systematic        'Cerium palladium arsenide (1/3/2)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.045(4)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   16.67299(200)
_cell_length_b                   4.1205(4)
_cell_length_c                   9.998(1)
_cell_volume                     653.1
_refine_ls_R_factor_all          0.032
_cod_database_code               1005024
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ce3+ 3.000
Pd1+ 1.000
As3- -3.000
