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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532003.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_1532003
loop_
_publ_author_name
'Prior, T.J.'
'Battle, P.D.'
_publ_section_title
;
 Facile synthesis of interstitial metal nitrides with the filled
 beta-manganese structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              138
_journal_page_last               147
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'N Pd2'
_chemical_name_systematic        'Pd2 N'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2'
_symmetry_space_group_name_H-M   'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.808
_cell_length_b                   4.863
_cell_length_c                   4.4869
_cell_volume                     61.270
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Prior_JSSCBI_2003_1519.cif
_cod_data_source_block           N1Pd2
_cod_original_cell_volume        61.26998
_cod_original_sg_symbol_Hall     '-P 2 2n (z,x,y)'
_cod_original_formula_sum        'N1 Pd2'
_cod_database_code               1532003
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y,-z
-x,y,z
x-1/2,-y-1/2,z-1/2
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
N1 N 0 0 0 1 0.0
Pd1 Pd 0 0.351 0.242 1 0.0
