The material described by Nd2(AgCu)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 Ag(1), four equivalent Ag(2), four equivalent Ag(3), and eight equivalent Cu(2) atoms. In the second Nd site, Nd(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ag(2), four equivalent Ag(1), four equivalent Cu(1), and eight equivalent Cu(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Ag(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Ag site, Ag(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ag(2), two equivalent Ag(1), two equivalent Ag(3), and four equivalent Cu(2) atoms. In the third Ag site, Ag(3) is bonded to four equivalent Nd(1), four equivalent Ag(2), and four equivalent Cu(2) atoms to form AgNd4Cu4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with four equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(2), four equivalent Ag(1), and four equivalent Cu(2) atoms to form CuNd4Cu4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with four equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Cu3Ag5 cuboctahedra that share corners with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, edges with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, edges with six equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, faces with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. is represented by the CIF card [CIF]
data_Nd2(CuAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.485
_cell_length_b   5.267
_cell_length_c   9.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.570
_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
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.748  0.259  1.0
  Cu  Cu4  1  0.500  0.252  0.741  1.0
  Cu  Cu5  1  0.500  0.252  0.259  1.0
  Cu  Cu6  1  0.500  0.748  0.741  1.0
  Ag  Ag7  1  0.000  0.500  0.334  1.0
  Ag  Ag8  1  0.000  0.000  0.822  1.0
  Ag  Ag9  1  0.000  0.000  0.178  1.0
  Ag  Ag10  1  0.000  0.500  0.666  1.0
  Ag  Ag11  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Nd2(AgCu)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 Ag(1), four equivalent Ag(2), four equivalent Ag(3), and eight equivalent Cu(2) atoms. In the second Nd site, Nd(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ag(2), four equivalent Ag(1), four equivalent Cu(1), and eight equivalent Cu(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Ag(2), two equivalent Cu(1), and four equivalent Cu(2) atoms. In the second Ag site, Ag(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(1), one Ag(2), two equivalent Ag(1), two equivalent Ag(3), and four equivalent Cu(2) atoms. In the third Ag site, Ag(3) is bonded to four equivalent Nd(1), four equivalent Ag(2), and four equivalent Cu(2) atoms to form AgNd4Cu4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with four equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Nd(2), four equivalent Ag(1), and four equivalent Cu(2) atoms to form CuNd4Cu4Ag4 cuboctahedra that share corners with four equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with four equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, edges with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, and faces with eight equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Ag(3), two equivalent Ag(1), two equivalent Ag(2), one Cu(1), and two equivalent Cu(2) atoms to form CuNd4Cu3Ag5 cuboctahedra that share corners with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, corners with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, corners with twelve equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, edges with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, edges with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, edges with six equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra, faces with two equivalent Ag(3)Nd4Cu4Ag4 cuboctahedra, faces with two equivalent Cu(1)Nd4Cu4Ag4 cuboctahedra, and faces with six equivalent Cu(2)Nd4Cu3Ag5 cuboctahedra. is represented by the CIF card [CIF]
data_Nd2(CuAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.485
_cell_length_b   5.267
_cell_length_c   9.380
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.570
_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
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.748  0.259  1.0
  Cu  Cu4  1  0.500  0.252  0.741  1.0
  Cu  Cu5  1  0.500  0.252  0.259  1.0
  Cu  Cu6  1  0.500  0.748  0.741  1.0
  Ag  Ag7  1  0.000  0.500  0.334  1.0
  Ag  Ag8  1  0.000  0.000  0.822  1.0
  Ag  Ag9  1  0.000  0.000  0.178  1.0
  Ag  Ag10  1  0.000  0.500  0.666  1.0
  Ag  Ag11  1  0.500  0.000  0.000  1.0
[/CIF]
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