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#$Date: 2015-10-10 01:32:24 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 163843 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/62/1536211.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_1536211
loop_
_publ_author_name
'Wang, M.'
'MacLean, E.J.'
'Mar, A.'
_publ_section_title
;
 Structure determination of niobium palladium arsenide, Nb5 Pd4 As4, from
 a 5 x 5 x 5 micro-m(exp3) crystal with synchrotron radiation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              232
_journal_page_last               236
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'As4 Nb5 Pd4'
_chemical_name_systematic        'Nb5 Pd4 As4'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4457
_cell_length_b                   10.4457
_cell_length_c                   3.7868
_cell_volume                     413.188
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wang_JSSCBI_2003_882.cif
_cod_data_source_block           As4Nb5Pd4
_cod_original_cell_volume        413.1877
_cod_database_code               1536211
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
As1 As-3 0.06659 0.24482 0 1 0.0
Nb2 Nb+2 0.30972 0.38055 0 1 0.0
Pd1 Pd 0.40547 0.11028 0 1 0.0
Nb1 Nb+2 0 0 0 1 0.0
