data_193117
_audit_creation_method	'Created with Diamond (www.crystalimpact.com)'
_audit_creation_date	18-10-12
_audit_update_record	18-10-12
_database_code_ICSD	193117
loop_
_publ_author_name
'Zakharova,'
'Elena, Yu.'
'Andreeva,'
'Natalia, A.'
'Kazakov,'
'Sergey, M.'
'Kuznetsov,'
'Alexey, N.'

_publ_section_title
;
Ternary arsenides based on platinum-indium and palladium-indium fragments
of

the Cu3 Au-type: Crystal structures and chemical bonding
;
_chemical_formula_sum	'Pd5 In As'
_chemical_formula_structural	'Pd5 In As'
_chemical_name_systematic
;
Palladium indium arsenide (5/1/1)
;
_chemical_name_structure_type
;
Pd5TlAs
;
_chemical_formula_weight	721.842
_refine_ls_R_factor_all	0.016
_cell_length_a	 3.986(1)
_cell_length_b	 3.986(1)
_cell_length_c	 6.9839(1)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_formula_units_Z	1
_symmetry_int_tables_number	123
_symmetry_space_group_name_H-M	'P 4/m m m'
_symmetry_space_group_name_Hall	'-P_4_2'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Pd	?	1.200
In	?	1.200
As	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Pd1 Pd  0.0000  0.0000  0.0000  1.000 1 a ? d Biso  0.208(15)
Pd2 Pd  0.0000  0.5000  0.2889(2)  1.000 4 i ? d Biso  0.208(15)
In1 In  0.5000  0.5000  0.0000  1.000 1 c ? d Biso  0.208(15)
As1 As  0.0000  0.0000  0.5000  1.000 1 b ? d Biso  0.208(15)