The compound described by Nd4NiCu3 crystallizes in the monoclinic Pm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Ni(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third Nd site, Nd(3) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Nd(3), two equivalent Nd(4), 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 one Nd(1), two equivalent Nd(2), two equivalent Nd(3), two equivalent Nd(4), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Nd(4), two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Nd(3), two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(4), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Nd4Cu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   5.555
_cell_length_c   7.368
_cell_angle_alpha   90.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.173
_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  0.621  0.323  1.0
  Nd  Nd1  1  0.000  0.882  0.813  1.0
  Nd  Nd2  1  0.500  0.371  0.676  1.0
  Nd  Nd3  1  0.500  0.126  0.190  1.0
  Cu  Cu4  1  0.000  0.391  0.964  1.0
  Cu  Cu5  1  0.500  0.880  0.534  1.0
  Cu  Cu6  1  0.500  0.618  0.034  1.0
  Ni  Ni7  1  0.000  0.112  0.466  1.0
[/CIF]
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The compound described by Nd4NiCu3 crystallizes in the monoclinic Pm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one Ni(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the third Nd site, Nd(3) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), two equivalent Nd(3), two equivalent Nd(4), 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 one Nd(1), two equivalent Nd(2), two equivalent Nd(3), two equivalent Nd(4), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Nd(4), two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), and two equivalent Ni(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to one Nd(3), two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(4), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Nd4Cu3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   5.555
_cell_length_c   7.368
_cell_angle_alpha   90.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.173
_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  0.621  0.323  1.0
  Nd  Nd1  1  0.000  0.882  0.813  1.0
  Nd  Nd2  1  0.500  0.371  0.676  1.0
  Nd  Nd3  1  0.500  0.126  0.190  1.0
  Cu  Cu4  1  0.000  0.391  0.964  1.0
  Cu  Cu5  1  0.500  0.880  0.534  1.0
  Cu  Cu6  1  0.500  0.618  0.034  1.0
  Ni  Ni7  1  0.000  0.112  0.466  1.0
[/CIF]
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