The crystal structure described by La2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent Cu(2), four equivalent Cu(1), and four equivalent Cu(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent La(1), four equivalent Ni(2), and four equivalent Cu(2) atoms to form NiLa4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), two equivalent Ni(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms to form NiLa4Cu5Ni3 cuboctahedra that share corners with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, edges with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, edges with six equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, faces with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, and faces with six equivalent Ni(2)La4Cu5Ni3 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), four equivalent Ni(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Cu site, Cu(3) is bonded to four equivalent La(2), four equivalent Ni(2), and four equivalent Cu(1) atoms to form CuLa4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra. is represented by the CIF card [CIF]
data_La2(CuNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   5.081
_cell_length_c   8.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.962
_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  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.330  1.0
  Cu  Cu3  1  0.000  0.000  0.834  1.0
  Cu  Cu4  1  0.000  0.000  0.166  1.0
  Cu  Cu5  1  0.000  0.500  0.670  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.751  0.249  1.0
  Ni  Ni9  1  0.500  0.249  0.751  1.0
  Ni  Ni10  1  0.500  0.249  0.249  1.0
  Ni  Ni11  1  0.500  0.751  0.751  1.0
[/CIF]
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The crystal structure described by La2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second La site, La(2) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent Cu(2), four equivalent Cu(1), and four equivalent Cu(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent La(1), four equivalent Ni(2), and four equivalent Cu(2) atoms to form NiLa4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), two equivalent Ni(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms to form NiLa4Cu5Ni3 cuboctahedra that share corners with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, edges with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, edges with six equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)La4Cu4Ni4 cuboctahedra, faces with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, and faces with six equivalent Ni(2)La4Cu5Ni3 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), four equivalent Ni(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one La(2), two equivalent La(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Cu site, Cu(3) is bonded to four equivalent La(2), four equivalent Ni(2), and four equivalent Cu(1) atoms to form CuLa4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)La4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)La4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, edges with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra, faces with two equivalent Cu(3)La4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)La4Cu5Ni3 cuboctahedra. is represented by the CIF card [CIF]
data_La2(CuNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   5.081
_cell_length_c   8.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.962
_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  0.000  1.0
  La  La1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.330  1.0
  Cu  Cu3  1  0.000  0.000  0.834  1.0
  Cu  Cu4  1  0.000  0.000  0.166  1.0
  Cu  Cu5  1  0.000  0.500  0.670  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.751  0.249  1.0
  Ni  Ni9  1  0.500  0.249  0.751  1.0
  Ni  Ni10  1  0.500  0.249  0.249  1.0
  Ni  Ni11  1  0.500  0.751  0.751  1.0
[/CIF]
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