The crystal structure described by Mo3Pd2N crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a bent 150 degrees geometry to six equivalent Pd(1) and two equivalent N(1) atoms. Pd(1) is bonded to nine equivalent Mo(1) and three equivalent Pd(1) atoms to form PdMo9Pd3 cuboctahedra that share corners with fifteen equivalent Pd(1)Mo9Pd3 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with ten equivalent Pd(1)Mo9Pd3 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. N(1) is bonded to six equivalent Mo(1) atoms to form distorted NMo6 octahedra that share corners with six equivalent N(1)Mo6 octahedra, edges with six equivalent Pd(1)Mo9Pd3 cuboctahedra, and faces with eight equivalent Pd(1)Mo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3Pd2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   6.831
_cell_length_c   6.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.683
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo0  1  0.798  0.048  0.125  1.0
  Mo  Mo1  1  0.048  0.125  0.798  1.0
  Mo  Mo2  1  0.548  0.375  0.202  1.0
  Mo  Mo3  1  0.875  0.298  0.452  1.0
  Mo  Mo4  1  0.125  0.798  0.048  1.0
  Mo  Mo5  1  0.202  0.548  0.375  1.0
  Mo  Mo6  1  0.298  0.452  0.875  1.0
  Mo  Mo7  1  0.452  0.875  0.298  1.0
  Mo  Mo8  1  0.625  0.702  0.952  1.0
  Mo  Mo9  1  0.952  0.625  0.702  1.0
  Mo  Mo10  1  0.375  0.202  0.548  1.0
  Mo  Mo11  1  0.702  0.952  0.625  1.0
  Pd  Pd12  1  0.189  0.189  0.189  1.0
  Pd  Pd13  1  0.439  0.061  0.939  1.0
  Pd  Pd14  1  0.939  0.439  0.061  1.0
  Pd  Pd15  1  0.061  0.939  0.439  1.0
  Pd  Pd16  1  0.311  0.811  0.689  1.0
  Pd  Pd17  1  0.689  0.311  0.811  1.0
  Pd  Pd18  1  0.811  0.689  0.311  1.0
  Pd  Pd19  1  0.561  0.561  0.561  1.0
  N  N20  1  0.875  0.875  0.875  1.0
  N  N21  1  0.125  0.375  0.625  1.0
  N  N22  1  0.625  0.125  0.375  1.0
  N  N23  1  0.375  0.625  0.125  1.0
[/CIF]
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The crystal structure described by Mo3Pd2N crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a bent 150 degrees geometry to six equivalent Pd(1) and two equivalent N(1) atoms. Pd(1) is bonded to nine equivalent Mo(1) and three equivalent Pd(1) atoms to form PdMo9Pd3 cuboctahedra that share corners with fifteen equivalent Pd(1)Mo9Pd3 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with ten equivalent Pd(1)Mo9Pd3 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. N(1) is bonded to six equivalent Mo(1) atoms to form distorted NMo6 octahedra that share corners with six equivalent N(1)Mo6 octahedra, edges with six equivalent Pd(1)Mo9Pd3 cuboctahedra, and faces with eight equivalent Pd(1)Mo9Pd3 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3Pd2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   6.831
_cell_length_c   6.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.683
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo0  1  0.798  0.048  0.125  1.0
  Mo  Mo1  1  0.048  0.125  0.798  1.0
  Mo  Mo2  1  0.548  0.375  0.202  1.0
  Mo  Mo3  1  0.875  0.298  0.452  1.0
  Mo  Mo4  1  0.125  0.798  0.048  1.0
  Mo  Mo5  1  0.202  0.548  0.375  1.0
  Mo  Mo6  1  0.298  0.452  0.875  1.0
  Mo  Mo7  1  0.452  0.875  0.298  1.0
  Mo  Mo8  1  0.625  0.702  0.952  1.0
  Mo  Mo9  1  0.952  0.625  0.702  1.0
  Mo  Mo10  1  0.375  0.202  0.548  1.0
  Mo  Mo11  1  0.702  0.952  0.625  1.0
  Pd  Pd12  1  0.189  0.189  0.189  1.0
  Pd  Pd13  1  0.439  0.061  0.939  1.0
  Pd  Pd14  1  0.939  0.439  0.061  1.0
  Pd  Pd15  1  0.061  0.939  0.439  1.0
  Pd  Pd16  1  0.311  0.811  0.689  1.0
  Pd  Pd17  1  0.689  0.311  0.811  1.0
  Pd  Pd18  1  0.811  0.689  0.311  1.0
  Pd  Pd19  1  0.561  0.561  0.561  1.0
  N  N20  1  0.875  0.875  0.875  1.0
  N  N21  1  0.125  0.375  0.625  1.0
  N  N22  1  0.625  0.125  0.375  1.0
  N  N23  1  0.375  0.625  0.125  1.0
[/CIF]
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