The crystal structure described by Nd3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Nd(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent C(1) atoms. Al(1) is bonded to twelve equivalent Nd(1) atoms to form AlNd12 cuboctahedra that share corners with twelve equivalent Al(1)Nd12 cuboctahedra, faces with six equivalent Al(1)Nd12 cuboctahedra, and faces with eight equivalent C(1)Nd6 octahedra. C(1) is bonded to six equivalent Nd(1) atoms to form CNd6 octahedra that share corners with six equivalent C(1)Nd6 octahedra and faces with eight equivalent Al(1)Nd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.100
_cell_length_c   5.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.661
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.500  0.000  0.500  1.0
  Nd  Nd2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Nd3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Nd(1) is bonded in a linear geometry to four equivalent Al(1) and two equivalent C(1) atoms. Al(1) is bonded to twelve equivalent Nd(1) atoms to form AlNd12 cuboctahedra that share corners with twelve equivalent Al(1)Nd12 cuboctahedra, faces with six equivalent Al(1)Nd12 cuboctahedra, and faces with eight equivalent C(1)Nd6 octahedra. C(1) is bonded to six equivalent Nd(1) atoms to form CNd6 octahedra that share corners with six equivalent C(1)Nd6 octahedra and faces with eight equivalent Al(1)Nd12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.100
_cell_length_c   5.100
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.661
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Nd  Nd1  1  0.500  0.000  0.500  1.0
  Nd  Nd2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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