The structure described by Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pr(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 Pr(1) atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent Al(1)Pr12 cuboctahedra, faces with six equivalent Al(1)Pr12 cuboctahedra, and faces with eight equivalent C(1)Pr6 octahedra. C(1) is bonded to six equivalent Pr(1) atoms to form CPr6 octahedra that share corners with six equivalent C(1)Pr6 octahedra and faces with eight equivalent Al(1)Pr12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Pr3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.582
_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
  Pr  Pr0  1  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.500  0.000  0.500  1.0
  Pr  Pr2  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 structure described by Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pr(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 Pr(1) atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent Al(1)Pr12 cuboctahedra, faces with six equivalent Al(1)Pr12 cuboctahedra, and faces with eight equivalent C(1)Pr6 octahedra. C(1) is bonded to six equivalent Pr(1) atoms to form CPr6 octahedra that share corners with six equivalent C(1)Pr6 octahedra and faces with eight equivalent Al(1)Pr12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Pr3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.582
_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
  Pr  Pr0  1  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.500  0.000  0.500  1.0
  Pr  Pr2  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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