The crystal structure described by La2NiCu3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Ni(1), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms to form LaCu10Ni2 cuboctahedra that share edges with four equivalent La(1)Cu10Ni2 cuboctahedra, edges with eight equivalent La(2)Cu8Ni4 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms to form LaCu8Ni4 cuboctahedra that share edges with four equivalent La(2)Cu8Ni4 cuboctahedra, edges with eight equivalent La(1)Cu10Ni2 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Cu(3), and two equivalent Cu(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), two equivalent Ni(1), and one Cu(1) atom. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Ni(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_La2Cu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.868
_cell_length_b   4.278
_cell_length_c   7.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.895
_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  0.011  1.0
  La  La1  1  0.000  0.000  0.492  1.0
  Cu  Cu2  1  0.500  0.000  0.833  1.0
  Cu  Cu3  1  0.500  0.000  0.170  1.0
  Cu  Cu4  1  0.500  0.500  0.664  1.0
  Ni  Ni5  1  0.500  0.500  0.330  1.0
[/CIF]
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The crystal structure described by La2NiCu3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent Ni(1), two equivalent Cu(3), four equivalent Cu(1), and four equivalent Cu(2) atoms to form LaCu10Ni2 cuboctahedra that share edges with four equivalent La(1)Cu10Ni2 cuboctahedra, edges with eight equivalent La(2)Cu8Ni4 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. In the second La site, La(2) is bonded to four equivalent Ni(1), two equivalent Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms to form LaCu8Ni4 cuboctahedra that share edges with four equivalent La(2)Cu8Ni4 cuboctahedra, edges with eight equivalent La(1)Cu10Ni2 cuboctahedra, faces with four equivalent La(1)Cu10Ni2 cuboctahedra, and faces with four equivalent La(2)Cu8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Cu(3), and two equivalent Cu(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), one Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), two equivalent Ni(1), and one Cu(1) atom. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Ni(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_La2Cu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.868
_cell_length_b   4.278
_cell_length_c   7.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.895
_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  0.011  1.0
  La  La1  1  0.000  0.000  0.492  1.0
  Cu  Cu2  1  0.500  0.000  0.833  1.0
  Cu  Cu3  1  0.500  0.000  0.170  1.0
  Cu  Cu4  1  0.500  0.500  0.664  1.0
  Ni  Ni5  1  0.500  0.500  0.330  1.0
[/CIF]
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