The material structure described by LaNi3CuAl crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1), three equivalent Cu(1), and three equivalent Al(1) atoms. Ni(1) is bonded to four equivalent La(1), four equivalent Ni(1), two equivalent Cu(1), and two equivalent Al(1) atoms to form distorted NiLa4Al2Cu2Ni4 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Ni6 cuboctahedra, corners with sixteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, faces with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Cu(1) is bonded to three equivalent La(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form distorted CuLa3Al3Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Al(1) is bonded in a 6-coordinate geometry to three equivalent La(1), six equivalent Ni(1), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaAlCuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   3.846
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.142
_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  0.667  0.333  0.000  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.665  0.833  0.500  1.0
  Ni  Ni4  1  0.167  0.833  0.500  1.0
  Ni  Ni5  1  0.167  0.335  0.500  1.0
[/CIF]
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The material structure described by LaNi3CuAl crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1), three equivalent Cu(1), and three equivalent Al(1) atoms. Ni(1) is bonded to four equivalent La(1), four equivalent Ni(1), two equivalent Cu(1), and two equivalent Al(1) atoms to form distorted NiLa4Al2Cu2Ni4 cuboctahedra that share corners with four equivalent Cu(1)La3Al3Ni6 cuboctahedra, corners with sixteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, faces with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with ten equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Cu(1) is bonded to three equivalent La(1), six equivalent Ni(1), and three equivalent Al(1) atoms to form distorted CuLa3Al3Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra, edges with six equivalent Cu(1)La3Al3Ni6 cuboctahedra, faces with two equivalent Cu(1)La3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)La4Al2Cu2Ni4 cuboctahedra. Al(1) is bonded in a 6-coordinate geometry to three equivalent La(1), six equivalent Ni(1), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaAlCuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   3.846
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.142
_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  0.667  0.333  0.000  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.333  0.667  0.000  1.0
  Ni  Ni3  1  0.665  0.833  0.500  1.0
  Ni  Ni4  1  0.167  0.833  0.500  1.0
  Ni  Ni5  1  0.167  0.335  0.500  1.0
[/CIF]
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