The material described by ThRhSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Th(1) is bonded to six Rh(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ThSi6Rh6 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Si(1) atoms. In the second Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three Rh(1,1) atoms. is represented by the CIF card [CIF]
data_ThSiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.768
_cell_length_b   7.768
_cell_length_c   7.768
_cell_angle_alpha   148.858
_cell_angle_beta   148.858
_cell_angle_gamma   44.620
_symmetry_Int_Tables_number   1
_cell_volume   125.007
_cell_formula_units_Z   2
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
  Th  Th0  1  0.578  0.578  0.000  1.0
  Th  Th1  1  0.328  0.828  0.500  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.750  0.250  0.500  1.0
  Rh  Rh4  1  0.168  0.168  0.000  1.0
  Rh  Rh5  1  0.918  0.418  0.500  1.0
[/CIF]
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The material described by ThRhSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. Th(1) is bonded to six Rh(1,1) and six equivalent Si(1) atoms to form a mixture of edge and face-sharing ThSi6Rh6 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Si(1) atoms. In the second Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Th(1) and three equivalent Si(1) atoms. Si(1) is bonded in a distorted trigonal planar geometry to six equivalent Th(1) and three Rh(1,1) atoms. is represented by the CIF card [CIF]
data_ThSiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.768
_cell_length_b   7.768
_cell_length_c   7.768
_cell_angle_alpha   148.858
_cell_angle_beta   148.858
_cell_angle_gamma   44.620
_symmetry_Int_Tables_number   1
_cell_volume   125.007
_cell_formula_units_Z   2
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
  Th  Th0  1  0.578  0.578  0.000  1.0
  Th  Th1  1  0.328  0.828  0.500  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.750  0.250  0.500  1.0
  Rh  Rh4  1  0.168  0.168  0.000  1.0
  Rh  Rh5  1  0.918  0.418  0.500  1.0
[/CIF]
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