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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/01/2310199.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310199
loop_
_publ_author_name
'Giessen, B.C.'
'Grant, N.J.'
_publ_section_title
;
 New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              615
_journal_page_last               616
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Nb Pd3'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   5.486
_cell_length_b                   13.602
_cell_length_c                   4.845
_cell_volume                     361.537
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Giessen_ACCRA9_1964_1363.cif
_cod_data_source_block           Nb1Pd3
_cod_original_cell_volume        361.5367
_cod_original_sg_symbol_Hall     '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Nb1 Pd3'
_cod_database_code               2310199
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x,y,z
x,-y,z
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
Nb1 Nb 0 0 0 1 0.0
Nb2 Nb 0 0.667 0.333 1 0.0
Pd1 Pd 0 0.5 0 1 0.0
Pd2 Pd 0 0.883 0.667 1 0.0
Pd3 Pd 0.75 0 0.5 1 0.0
Pd4 Pd 0.75 0.667 0.833 1 0.0
