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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/50/1005017.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_1005017
loop_
_publ_author_name
'Gordon, R A'
'DiSalvo, F J'
'Poettgen, R'
_publ_section_title
;
Crystal structure and physical properties of Ce3 Pd6 Sb5
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              16
_journal_page_last               22
_journal_paper_doi               10.1016/0925-8388(95)01689-9
_journal_volume                  228
_journal_year                    1995
_chemical_formula_structural     'Ce3 Pd6 Sb5'
_chemical_formula_sum            'Ce3 Pd6 Sb5'
_chemical_name_systematic        'Cerium palladium antimonide (3/6/5)'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.481(2)
_cell_length_b                   4.459(1)
_cell_length_c                   10.050(1)
_cell_volume                     604.1
_refine_ls_R_factor_all          0.022
_cod_original_sg_symbol_H-M      'P m m n Z'
_cod_database_code               1005017
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
x,1/2-y,z
1/2-x,1/2-y,z
-x,-y,-z
1/2+x,-y,-z
-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 Ce0 2 a 0.25 0.25 0.75756(3) 1. 0 d
Ce2 Ce0 4 f 0.57480(2) 0.25 0.75467(2) 1. 0 d
Pd1 Pd0 4 f 0.41109(3) 0.25 0.00819(4) 1. 0 d
Pd2 Pd0 2 b 0.25 0.75 0.01545(5) 1. 0 d
Pd3 Pd0 4 f 0.56761(3) 0.25 0.39730(4) 1. 0 d
Pd4 Pd0 2 b 0.25 0.75 0.47745(6) 1. 0 d
Sb1 Sb0 4 f 0.37627(2) 0.25 0.47697(3) 1. 0 d
Sb2 Sb0 4 f 0.58653(2) 0.25 0.13700(3) 1. 0 d
Sb3 Sb0 2 a 0.25 0.25 0.16899(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ce0 0.000
Pd0 0.000
Sb0 0.000
