The material structure described by Nd2(CoCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Cu(1), and eight equivalent Cu(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Cu(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Cu(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Co(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Cu(2) atoms to form CoNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Cu(2) atoms to form CuNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Co5Cu3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2(CoCu)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.066
_cell_length_b   5.081
_cell_length_c   8.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.023
_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
  Nd  Nd0  1  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.346  1.0
  Co  Co3  1  0.000  0.000  0.836  1.0
  Co  Co4  1  0.000  0.000  0.164  1.0
  Co  Co5  1  0.000  0.500  0.654  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.000  0.000  1.0
  Cu  Cu8  1  0.500  0.750  0.251  1.0
  Cu  Cu9  1  0.500  0.250  0.749  1.0
  Cu  Cu10  1  0.500  0.250  0.251  1.0
  Cu  Cu11  1  0.500  0.750  0.749  1.0
[/CIF]
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The material structure described by Nd2(CoCu)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Cu(1), and eight equivalent Cu(2) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Co(3), and eight equivalent Cu(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), one Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Cu(2) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Co(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the third Co site, Co(3) is bonded to four equivalent Nd(2), four equivalent Co(1), and four equivalent Cu(2) atoms to form CoNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(1), four equivalent Co(2), and four equivalent Cu(2) atoms to form CuNd4Co4Cu4 cuboctahedra that share corners with four equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with four equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Co(3), two equivalent Co(1), two equivalent Co(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Co5Cu3 cuboctahedra that share corners with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, corners with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, edges with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, edges with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, edges with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra, faces with two equivalent Co(3)Nd4Co4Cu4 cuboctahedra, faces with two equivalent Cu(1)Nd4Co4Cu4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Co5Cu3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2(CoCu)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.066
_cell_length_b   5.081
_cell_length_c   8.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.023
_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
  Nd  Nd0  1  0.000  0.500  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.346  1.0
  Co  Co3  1  0.000  0.000  0.836  1.0
  Co  Co4  1  0.000  0.000  0.164  1.0
  Co  Co5  1  0.000  0.500  0.654  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.000  0.000  1.0
  Cu  Cu8  1  0.500  0.750  0.251  1.0
  Cu  Cu9  1  0.500  0.250  0.749  1.0
  Cu  Cu10  1  0.500  0.250  0.251  1.0
  Cu  Cu11  1  0.500  0.750  0.749  1.0
[/CIF]
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