The material described by Nd2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Ir(1), and one Ge(1) atom to form distorted NdNd4GeIr octahedra that share corners with four equivalent Nd(1)Nd4GeIr octahedra, edges with four equivalent Nd(1)Nd4GeIr octahedra, and edges with four equivalent Ge(1)NdGe4Ir octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Nd(1) and one Ge(2) atom. In the second Ir site, Ir(2) is bonded in a distorted linear geometry to two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Nd(1), one Ir(2), and four equivalent Ge(1) atoms to form distorted GeNdGe4Ir octahedra that share corners with five equivalent Ge(1)NdGe4Ir octahedra, edges with four equivalent Nd(1)Nd4GeIr octahedra, and edges with four equivalent Ge(1)NdGe4Ir octahedra. The corner-sharing octahedra are not tilted. In the second Ge site, Ge(2) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Nd2(GeIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.851
_cell_length_b   2.851
_cell_length_c   21.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.364
_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  0.500  0.500  0.760  1.0
  Nd  Nd1  1  0.500  0.500  0.240  1.0
  Ge  Ge2  1  0.500  0.500  0.388  1.0
  Ge  Ge3  1  0.500  0.500  0.612  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.500  0.113  1.0
  Ir  Ir6  1  0.500  0.500  0.887  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Nd2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent Nd(1), one Ir(1), and one Ge(1) atom to form distorted NdNd4GeIr octahedra that share corners with four equivalent Nd(1)Nd4GeIr octahedra, edges with four equivalent Nd(1)Nd4GeIr octahedra, and edges with four equivalent Ge(1)NdGe4Ir octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted linear geometry to one Nd(1) and one Ge(2) atom. In the second Ir site, Ir(2) is bonded in a distorted linear geometry to two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Nd(1), one Ir(2), and four equivalent Ge(1) atoms to form distorted GeNdGe4Ir octahedra that share corners with five equivalent Ge(1)NdGe4Ir octahedra, edges with four equivalent Nd(1)Nd4GeIr octahedra, and edges with four equivalent Ge(1)NdGe4Ir octahedra. The corner-sharing octahedra are not tilted. In the second Ge site, Ge(2) is bonded in a distorted linear geometry to two equivalent Ir(1) atoms. is represented by the CIF file [CIF]
data_Nd2(GeIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.851
_cell_length_b   2.851
_cell_length_c   21.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.364
_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  0.500  0.500  0.760  1.0
  Nd  Nd1  1  0.500  0.500  0.240  1.0
  Ge  Ge2  1  0.500  0.500  0.388  1.0
  Ge  Ge3  1  0.500  0.500  0.612  1.0
  Ge  Ge4  1  0.500  0.500  0.000  1.0
  Ir  Ir5  1  0.500  0.500  0.113  1.0
  Ir  Ir6  1  0.500  0.500  0.887  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
[/CIF]
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