The crystal structure described by LaNi3CuAl crystallizes in the monoclinic P2/m space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), four equivalent Cu(1), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), two equivalent Ni(2), two equivalent Cu(1), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) 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)La4Al2Ni6 cuboctahedra, corners with eight equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, edges with two equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, edges with four equivalent Cu(1)La4Al2Ni6 cuboctahedra, faces with two equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, and faces with four equivalent Cu(1)La4Al2Ni6 cuboctahedra. Cu(1) is bonded to four equivalent La(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form distorted CuLa4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, corners with eight equivalent Cu(1)La4Al2Ni6 cuboctahedra, edges with two equivalent Cu(1)La4Al2Ni6 cuboctahedra, edges with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, faces with two equivalent Cu(1)La4Al2Ni6 cuboctahedra, and faces with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LaAlCuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.028
_cell_length_c   5.111
_cell_angle_alpha   61.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.921
_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  0.000  0.500  0.500  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.168  0.163  1.0
  Ni  Ni4  1  0.000  0.832  0.837  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by LaNi3CuAl crystallizes in the monoclinic P2/m space group. La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(1), four equivalent Cu(1), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent La(1), two equivalent Ni(2), two equivalent Cu(1), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) 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)La4Al2Ni6 cuboctahedra, corners with eight equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, edges with two equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, edges with four equivalent Cu(1)La4Al2Ni6 cuboctahedra, faces with two equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, and faces with four equivalent Cu(1)La4Al2Ni6 cuboctahedra. Cu(1) is bonded to four equivalent La(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form distorted CuLa4Al2Ni6 cuboctahedra that share corners with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, corners with eight equivalent Cu(1)La4Al2Ni6 cuboctahedra, edges with two equivalent Cu(1)La4Al2Ni6 cuboctahedra, edges with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra, faces with two equivalent Cu(1)La4Al2Ni6 cuboctahedra, and faces with four equivalent Ni(2)La4Al2Cu2Ni4 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LaAlCuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.028
_cell_length_c   5.111
_cell_angle_alpha   61.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.921
_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  0.000  0.500  0.500  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.168  0.163  1.0
  Ni  Ni4  1  0.000  0.832  0.837  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
[/CIF]
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