The structure described by Mo3FePtN crystallizes in the cubic P2_13 space group. Mo(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Fe(1), three equivalent Pt(1), and two equivalent N(1) atoms. Fe(1) is bonded to nine equivalent Mo(1) and three equivalent Pt(1) atoms to form distorted FeMo9Pt3 cuboctahedra that share corners with six equivalent Fe(1)Mo9Pt3 cuboctahedra, corners with nine equivalent Pt(1)Fe3Mo9 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with four equivalent Pt(1)Fe3Mo9 cuboctahedra, faces with six equivalent Fe(1)Mo9Pt3 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. Pt(1) is bonded to nine equivalent Mo(1) and three equivalent Fe(1) atoms to form distorted PtFe3Mo9 cuboctahedra that share corners with six equivalent Pt(1)Fe3Mo9 cuboctahedra, corners with nine equivalent Fe(1)Mo9Pt3 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with four equivalent Fe(1)Mo9Pt3 cuboctahedra, faces with six equivalent Pt(1)Fe3Mo9 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 three equivalent Fe(1)Mo9Pt3 cuboctahedra, edges with three equivalent Pt(1)Fe3Mo9 cuboctahedra, faces with four equivalent Fe(1)Mo9Pt3 cuboctahedra, and faces with four equivalent Pt(1)Fe3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeMo3PtN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.781
_cell_length_b   6.781
_cell_length_c   6.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.810
_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
  Fe  Fe0  1  0.184  0.816  0.316  1.0
  Fe  Fe1  1  0.316  0.184  0.816  1.0
  Fe  Fe2  1  0.816  0.316  0.184  1.0
  Fe  Fe3  1  0.684  0.684  0.684  1.0
  Mo  Mo4  1  0.804  0.958  0.371  1.0
  Mo  Mo5  1  0.696  0.042  0.871  1.0
  Mo  Mo6  1  0.196  0.458  0.129  1.0
  Mo  Mo7  1  0.304  0.542  0.629  1.0
  Mo  Mo8  1  0.958  0.371  0.804  1.0
  Mo  Mo9  1  0.042  0.871  0.696  1.0
  Mo  Mo10  1  0.458  0.129  0.196  1.0
  Mo  Mo11  1  0.542  0.629  0.304  1.0
  Mo  Mo12  1  0.371  0.804  0.958  1.0
  Mo  Mo13  1  0.871  0.696  0.042  1.0
  Mo  Mo14  1  0.129  0.196  0.458  1.0
  Mo  Mo15  1  0.629  0.304  0.542  1.0
  Pt  Pt16  1  0.563  0.437  0.937  1.0
  Pt  Pt17  1  0.437  0.937  0.563  1.0
  Pt  Pt18  1  0.937  0.563  0.437  1.0
  Pt  Pt19  1  0.063  0.063  0.063  1.0
  N  N20  1  0.875  0.125  0.625  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.375  0.375  0.375  1.0
[/CIF]
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The structure described by Mo3FePtN crystallizes in the cubic P2_13 space group. Mo(1) is bonded in a distorted bent 150 degrees geometry to three equivalent Fe(1), three equivalent Pt(1), and two equivalent N(1) atoms. Fe(1) is bonded to nine equivalent Mo(1) and three equivalent Pt(1) atoms to form distorted FeMo9Pt3 cuboctahedra that share corners with six equivalent Fe(1)Mo9Pt3 cuboctahedra, corners with nine equivalent Pt(1)Fe3Mo9 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with four equivalent Pt(1)Fe3Mo9 cuboctahedra, faces with six equivalent Fe(1)Mo9Pt3 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. Pt(1) is bonded to nine equivalent Mo(1) and three equivalent Fe(1) atoms to form distorted PtFe3Mo9 cuboctahedra that share corners with six equivalent Pt(1)Fe3Mo9 cuboctahedra, corners with nine equivalent Fe(1)Mo9Pt3 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with four equivalent Fe(1)Mo9Pt3 cuboctahedra, faces with six equivalent Pt(1)Fe3Mo9 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 three equivalent Fe(1)Mo9Pt3 cuboctahedra, edges with three equivalent Pt(1)Fe3Mo9 cuboctahedra, faces with four equivalent Fe(1)Mo9Pt3 cuboctahedra, and faces with four equivalent Pt(1)Fe3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeMo3PtN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.781
_cell_length_b   6.781
_cell_length_c   6.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   311.810
_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
  Fe  Fe0  1  0.184  0.816  0.316  1.0
  Fe  Fe1  1  0.316  0.184  0.816  1.0
  Fe  Fe2  1  0.816  0.316  0.184  1.0
  Fe  Fe3  1  0.684  0.684  0.684  1.0
  Mo  Mo4  1  0.804  0.958  0.371  1.0
  Mo  Mo5  1  0.696  0.042  0.871  1.0
  Mo  Mo6  1  0.196  0.458  0.129  1.0
  Mo  Mo7  1  0.304  0.542  0.629  1.0
  Mo  Mo8  1  0.958  0.371  0.804  1.0
  Mo  Mo9  1  0.042  0.871  0.696  1.0
  Mo  Mo10  1  0.458  0.129  0.196  1.0
  Mo  Mo11  1  0.542  0.629  0.304  1.0
  Mo  Mo12  1  0.371  0.804  0.958  1.0
  Mo  Mo13  1  0.871  0.696  0.042  1.0
  Mo  Mo14  1  0.129  0.196  0.458  1.0
  Mo  Mo15  1  0.629  0.304  0.542  1.0
  Pt  Pt16  1  0.563  0.437  0.937  1.0
  Pt  Pt17  1  0.437  0.937  0.563  1.0
  Pt  Pt18  1  0.937  0.563  0.437  1.0
  Pt  Pt19  1  0.063  0.063  0.063  1.0
  N  N20  1  0.875  0.125  0.625  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.375  0.375  0.375  1.0
[/CIF]
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