The material structure described by Rh3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Rh(1), four equivalent Rh(2), and four equivalent Si(1) atoms to form distorted RhSi4Rh8 cuboctahedra that share corners with twelve equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, and faces with ten equivalent Rh(1)Si4Rh8 cuboctahedra. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Si(1) atoms to form RhSi4Rh8 cuboctahedra that share corners with four equivalent Rh(2)Si4Rh8 cuboctahedra, corners with eight equivalent Si(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with six equivalent Si(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. Si(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form SiRh12 cuboctahedra that share corners with four equivalent Si(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, faces with six equivalent Rh(2)Si4Rh8 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   130.011
_cell_angle_beta   130.011
_cell_angle_gamma   73.389
_symmetry_Int_Tables_number   1
_cell_volume   54.874
_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
  Si  Si0  1  0.000  0.000  0.000  1.0
  Rh  Rh1  1  0.750  0.250  0.500  1.0
  Rh  Rh2  1  0.250  0.750  0.500  1.0
  Rh  Rh3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Rh3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Rh(1), four equivalent Rh(2), and four equivalent Si(1) atoms to form distorted RhSi4Rh8 cuboctahedra that share corners with twelve equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(1)Si4Rh8 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, and faces with ten equivalent Rh(1)Si4Rh8 cuboctahedra. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Si(1) atoms to form RhSi4Rh8 cuboctahedra that share corners with four equivalent Rh(2)Si4Rh8 cuboctahedra, corners with eight equivalent Si(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Rh(2)Si4Rh8 cuboctahedra, faces with six equivalent Si(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. Si(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form SiRh12 cuboctahedra that share corners with four equivalent Si(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Si4Rh8 cuboctahedra, edges with eight equivalent Si(1)Rh12 cuboctahedra, edges with sixteen equivalent Rh(1)Si4Rh8 cuboctahedra, faces with four equivalent Si(1)Rh12 cuboctahedra, faces with six equivalent Rh(2)Si4Rh8 cuboctahedra, and faces with eight equivalent Rh(1)Si4Rh8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   130.011
_cell_angle_beta   130.011
_cell_angle_gamma   73.389
_symmetry_Int_Tables_number   1
_cell_volume   54.874
_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
  Si  Si0  1  0.000  0.000  0.000  1.0
  Rh  Rh1  1  0.750  0.250  0.500  1.0
  Rh  Rh2  1  0.250  0.750  0.500  1.0
  Rh  Rh3  1  0.500  0.500  0.000  1.0
[/CIF]
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