The compound described by Nd2RuRh3Si4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Ru(1), two equivalent Rh(1), two equivalent Rh(2), two equivalent Rh(3), four equivalent Si(1), and four equivalent Si(2) atoms. Ru(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Nd(1) and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing RhNd4Si4 tetrahedra. In the second Rh site, Rh(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. In the third Rh site, Rh(3) is bonded to four equivalent Nd(1) and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing RhNd4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), two equivalent Ru(1), two equivalent Rh(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Rh(1), two equivalent Rh(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Si4RuRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   4.140
_cell_length_c   10.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.402
_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  0.000  0.003  1.0
  Nd  Nd1  1  0.500  0.500  0.497  1.0
  Si  Si2  1  0.500  0.500  0.131  1.0
  Si  Si3  1  0.000  0.000  0.626  1.0
  Si  Si4  1  0.000  0.000  0.369  1.0
  Si  Si5  1  0.500  0.500  0.874  1.0
  Ru  Ru6  1  0.000  0.500  0.250  1.0
  Rh  Rh7  1  0.500  0.000  0.750  1.0
  Rh  Rh8  1  0.500  0.000  0.250  1.0
  Rh  Rh9  1  0.000  0.500  0.750  1.0
[/CIF]
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The compound described by Nd2RuRh3Si4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Ru(1), two equivalent Rh(1), two equivalent Rh(2), two equivalent Rh(3), four equivalent Si(1), and four equivalent Si(2) atoms. Ru(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Nd(1) and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing RhNd4Si4 tetrahedra. In the second Rh site, Rh(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. In the third Rh site, Rh(3) is bonded to four equivalent Nd(1) and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing RhNd4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), two equivalent Ru(1), two equivalent Rh(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Rh(1), two equivalent Rh(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Si4RuRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.140
_cell_length_b   4.140
_cell_length_c   10.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.402
_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  0.000  0.003  1.0
  Nd  Nd1  1  0.500  0.500  0.497  1.0
  Si  Si2  1  0.500  0.500  0.131  1.0
  Si  Si3  1  0.000  0.000  0.626  1.0
  Si  Si4  1  0.000  0.000  0.369  1.0
  Si  Si5  1  0.500  0.500  0.874  1.0
  Ru  Ru6  1  0.000  0.500  0.250  1.0
  Rh  Rh7  1  0.500  0.000  0.750  1.0
  Rh  Rh8  1  0.500  0.000  0.250  1.0
  Rh  Rh9  1  0.000  0.500  0.750  1.0
[/CIF]
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