data_7221282
_publ_section_title
;
 Pd2 Mo3 N : a new molybdenum bimetallic interstitial nitride
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2311
_journal_page_last               2314
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Mo3 N Pd2'
_chemical_name_systematic        'Pd2 Mo3 N'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8177
_cell_length_b                   6.8177
_cell_length_c                   6.8177
_cell_volume                     316.894
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            El-Himri_JMACEP_2001_1403.cif
_cod_data_source_block           Mo3N1Pd2
_cod_original_cell_volume        316.8937
_cod_chemical_formula_sum_orig   'Mo3 N1 Pd2'
_cod_database_code               7221282
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x+1/2,-y+1/2,-z
y+3/4,x+1/4,-z+1/4
-x,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
z,x,y
-x+1/4,z+3/4,y+1/4
-z+1/2,-x,y+1/2
x+1/4,-z+1/4,y+3/4
z+1/2,-x+1/2,-y
x+3/4,z+1/4,-y+1/4
-z,x+1/2,-y+1/2
-x+3/4,-z+3/4,-y+3/4
y,z,x
y+1/2,-z+1/2,-x
z+3/4,y+1/4,-x+1/4
-y,z+1/2,-x+1/2
-z+3/4,-y+3/4,-x+3/4
-y+1/2,-z,x+1/2
z+1/4,-y+1/4,x+3/4
-z+1/4,y+3/4,x+1/4
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
Mo1 Mo 0.79742 0.04742 0.125 1 0.0
N1 N 0.875 0.875 0.875 1 0.0
Pd1 Pd 0.1889 0.1889 0.1889 1 0.0
