The compound described by Nd3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the second Nd site, Nd(2) is bonded to eight equivalent Cu(1), two equivalent Ge(2), and four equivalent Ge(1) atoms to form distorted face-sharing NdCu8Ge6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Nd(2), three equivalent Nd(1), one Cu(1), one Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Cu(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), and six equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Nd3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   6.703
_cell_length_c   8.170
_cell_angle_alpha   114.219
_cell_angle_beta   105.302
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.164
_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  0.867  0.367  0.733  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.133  0.633  0.267  1.0
  Cu  Cu3  1  0.666  0.351  0.332  1.0
  Cu  Cu4  1  0.334  0.649  0.668  1.0
  Cu  Cu5  1  0.334  0.019  0.668  1.0
  Cu  Cu6  1  0.666  0.981  0.332  1.0
  Ge  Ge7  1  0.500  0.312  0.000  1.0
  Ge  Ge8  1  0.216  0.216  0.433  1.0
  Ge  Ge9  1  0.784  0.784  0.567  1.0
  Ge  Ge10  1  0.500  0.688  0.000  1.0
[/CIF]
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The compound described by Nd3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the second Nd site, Nd(2) is bonded to eight equivalent Cu(1), two equivalent Ge(2), and four equivalent Ge(1) atoms to form distorted face-sharing NdCu8Ge6 octahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Nd(2), three equivalent Nd(1), one Cu(1), one Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Cu(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), and six equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Nd3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   6.703
_cell_length_c   8.170
_cell_angle_alpha   114.219
_cell_angle_beta   105.302
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.164
_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  0.867  0.367  0.733  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.133  0.633  0.267  1.0
  Cu  Cu3  1  0.666  0.351  0.332  1.0
  Cu  Cu4  1  0.334  0.649  0.668  1.0
  Cu  Cu5  1  0.334  0.019  0.668  1.0
  Cu  Cu6  1  0.666  0.981  0.332  1.0
  Ge  Ge7  1  0.500  0.312  0.000  1.0
  Ge  Ge8  1  0.216  0.216  0.433  1.0
  Ge  Ge9  1  0.784  0.784  0.567  1.0
  Ge  Ge10  1  0.500  0.688  0.000  1.0
[/CIF]
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