#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533855.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_1533855
loop_
_publ_author_name
'Vennstrom, M.'
'Howing, J.'
'Gustafsson, T.'
'Andersson, Y.'
_publ_section_title
;
 The crystal structures of Pd Ni2 P and Pd8 Ni31 P16
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1449
_journal_page_last               1455
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ni1.9 P Pd1.1'
_chemical_name_systematic        'Pd (Ni0.95 Pd0.05)2 P'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.4708
_cell_length_b                   8.4437
_cell_length_c                   6.6083
_cell_volume                     193.665
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vennstrom_JSSCBI_2004_1668.cif
_cod_data_source_block           Ni1.9P1Pd1.1
_cod_original_cell_volume        193.6654
_cod_original_formula_sum        'Ni1.9 P1 Pd1.1'
_cod_database_code               1533855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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_U_iso_or_equiv
P1 P 0 0.7321 0.25 1 0.0
Pd2 Pd 0 0.44552 0.25 1 0.0
Pd1 Pd 0 0.1451 0 0.052 0.0
Ni1 Ni 0 0.1451 0 0.948 0.0
