The material structure described by La3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(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 La(1) atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent Al(1)La12 cuboctahedra, faces with six equivalent Al(1)La12 cuboctahedra, and faces with eight equivalent C(1)La6 octahedra. C(1) is bonded to six equivalent La(1) atoms to form CLa6 octahedra that share corners with six equivalent C(1)La6 octahedra and faces with eight equivalent Al(1)La12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_La3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.205
_cell_length_b   5.205
_cell_length_c   5.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.025
_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
  La  La0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.500  0.000  0.500  1.0
  La  La2  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 material structure described by La3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. La(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 La(1) atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent Al(1)La12 cuboctahedra, faces with six equivalent Al(1)La12 cuboctahedra, and faces with eight equivalent C(1)La6 octahedra. C(1) is bonded to six equivalent La(1) atoms to form CLa6 octahedra that share corners with six equivalent C(1)La6 octahedra and faces with eight equivalent Al(1)La12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_La3AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.205
_cell_length_b   5.205
_cell_length_c   5.205
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   141.025
_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
  La  La0  1  0.500  0.500  0.000  1.0
  La  La1  1  0.500  0.000  0.500  1.0
  La  La2  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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