The crystal structure described by Mn3PdN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mn(1) is bonded in a linear geometry to four equivalent Pd(1) and two equivalent N(1) atoms. Pd(1) is bonded to twelve equivalent Mn(1) atoms to form PdMn12 cuboctahedra that share corners with twelve equivalent Pd(1)Mn12 cuboctahedra, faces with six equivalent Pd(1)Mn12 cuboctahedra, and faces with eight equivalent N(1)Mn6 octahedra. N(1) is bonded to six equivalent Mn(1) atoms to form NMn6 octahedra that share corners with six equivalent N(1)Mn6 octahedra and faces with eight equivalent Pd(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mn3PdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   3.943
_cell_length_c   3.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.296
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Mn3PdN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mn(1) is bonded in a linear geometry to four equivalent Pd(1) and two equivalent N(1) atoms. Pd(1) is bonded to twelve equivalent Mn(1) atoms to form PdMn12 cuboctahedra that share corners with twelve equivalent Pd(1)Mn12 cuboctahedra, faces with six equivalent Pd(1)Mn12 cuboctahedra, and faces with eight equivalent N(1)Mn6 octahedra. N(1) is bonded to six equivalent Mn(1) atoms to form NMn6 octahedra that share corners with six equivalent N(1)Mn6 octahedra and faces with eight equivalent Pd(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mn3PdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   3.943
_cell_length_c   3.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   61.296
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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