#------------------------------------------------------------------------------
#$Date: 2015-10-05 14:29:42 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160143 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533857.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_1533857
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            'Ni30.76 P16 Pd8.24'
_chemical_name_systematic        'Pd8.24 Ni30.76 P16'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.9375
_cell_length_b                   14.9375
_cell_length_c                   5.8071
_cell_volume                     1295.732
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vennstrom_JSSCBI_2004_1669.cif
_cod_data_source_block           Ni30.76P16Pd8.24
_cod_database_code               1533857
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
y,x,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
Ni2 Ni 0.5135 0.25 0.7476 1 0.0
Pd3 Pd 0.25 0.25 0.5756 1 0.0
Ni5 Ni 0.38122 0.35661 0.8001 0.62 0.0
Ni3 Ni 0.51179 0.48821 0.75 1 0.0
Ni4 Ni 0.62956 0.37044 0.75 1 0.0
Pd2 Pd 0.63656 0.25 0.1124 0.8 0.0
P3 P 0.8688 0.25 0.513 1 0.0
Ni1 Ni 0.75 0.25 0.75 1 0.0
Pd1 Pd 0.38122 0.35661 0.8001 0.38 0.0
P2 P 0.4035 0.25 0.4942 1 0.0
P1 P 0.51 0.1223 0.0109 1 0.0
Ni8 Ni 0.63656 0.25 0.1124 0.2 0.0
Ni7 Ni 0.4471 0.25 0.137 1 0.0
Ni6 Ni 0.5349 0.14006 0.3901 1 0.0
