The structure described by Ce2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent Cu(1), four equivalent Cu(2), and four equivalent Cu(3) atoms. In the second Ce site, Ce(2) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Cu(2), and four equivalent Cu(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Ce(2), four equivalent Ni(2), and four equivalent Cu(1) atoms to form NiCe4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), one Ni(1), two equivalent Ni(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms to form NiCe4Cu5Ni3 cuboctahedra that share corners with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, edges with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, edges with six equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, faces with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), four equivalent Ni(2), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded to four equivalent Ce(1), four equivalent Ni(2), and four equivalent Cu(2) atoms to form CuCe4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2(CuNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   5.027
_cell_length_c   8.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.542
_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
  Ce  Ce0  1  0.000  0.500  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.333  1.0
  Cu  Cu3  1  0.000  0.000  0.832  1.0
  Cu  Cu4  1  0.000  0.000  0.168  1.0
  Cu  Cu5  1  0.000  0.500  0.667  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.500  0.749  0.251  1.0
  Ni  Ni9  1  0.500  0.251  0.749  1.0
  Ni  Ni10  1  0.500  0.251  0.251  1.0
  Ni  Ni11  1  0.500  0.749  0.749  1.0
[/CIF]
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The structure described by Ce2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to eight equivalent Ni(2), two equivalent Cu(1), four equivalent Cu(2), and four equivalent Cu(3) atoms. In the second Ce site, Ce(2) is bonded in a 18-coordinate geometry to four equivalent Ni(1), eight equivalent Ni(2), two equivalent Cu(2), and four equivalent Cu(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Ce(2), four equivalent Ni(2), and four equivalent Cu(1) atoms to form NiCe4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), one Ni(1), two equivalent Ni(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms to form NiCe4Cu5Ni3 cuboctahedra that share corners with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, edges with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, edges with six equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, faces with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Ce(2), two equivalent Ce(1), four equivalent Ni(2), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded to four equivalent Ce(1), four equivalent Ni(2), and four equivalent Cu(2) atoms to form CuCe4Cu4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Ce4Cu4Ni4 cuboctahedra, corners with four equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, edges with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra, faces with two equivalent Cu(3)Ce4Cu4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Ce4Cu5Ni3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2(CuNi)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.944
_cell_length_b   5.027
_cell_length_c   8.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.542
_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
  Ce  Ce0  1  0.000  0.500  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.333  1.0
  Cu  Cu3  1  0.000  0.000  0.832  1.0
  Cu  Cu4  1  0.000  0.000  0.168  1.0
  Cu  Cu5  1  0.000  0.500  0.667  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.500  0.749  0.251  1.0
  Ni  Ni9  1  0.500  0.251  0.749  1.0
  Ni  Ni10  1  0.500  0.251  0.251  1.0
  Ni  Ni11  1  0.500  0.749  0.749  1.0
[/CIF]
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