The material structure described by Th2RuSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Ru(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form ThSi8Ru4 cuboctahedra that share edges with four equivalent Th(1)Si8Ru4 cuboctahedra, edges with eight equivalent Th(2)Si10Ru2 cuboctahedra, faces with four equivalent Th(2)Si10Ru2 cuboctahedra, and faces with four equivalent Th(1)Si8Ru4 cuboctahedra. In the second Th site, Th(2) is bonded to two equivalent Ru(1), two equivalent Si(2), four equivalent Si(1), and four equivalent Si(3) atoms to form ThSi10Ru2 cuboctahedra that share edges with four equivalent Th(2)Si10Ru2 cuboctahedra, edges with eight equivalent Th(1)Si8Ru4 cuboctahedra, faces with four equivalent Th(2)Si10Ru2 cuboctahedra, and faces with four equivalent Th(1)Si8Ru4 cuboctahedra. Ru(1) is bonded in a 9-coordinate geometry to two equivalent Th(2), four equivalent Th(1), one Si(2), and two equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Ru(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Th(2), four equivalent Th(1), one Ru(1), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Th2Si3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   149.673
_cell_angle_beta   148.406
_cell_angle_gamma   44.362
_symmetry_Int_Tables_number   1
_cell_volume   123.454
_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
  Th  Th0  1  0.748  0.248  0.500  1.0
  Th  Th1  1  0.003  0.003  0.000  1.0
  Si  Si2  1  0.583  0.583  0.000  1.0
  Si  Si3  1  0.330  0.830  0.500  1.0
  Si  Si4  1  0.419  0.419  0.000  1.0
  Ru  Ru5  1  0.167  0.667  0.500  1.0
[/CIF]
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The material structure described by Th2RuSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Ru(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms to form ThSi8Ru4 cuboctahedra that share edges with four equivalent Th(1)Si8Ru4 cuboctahedra, edges with eight equivalent Th(2)Si10Ru2 cuboctahedra, faces with four equivalent Th(2)Si10Ru2 cuboctahedra, and faces with four equivalent Th(1)Si8Ru4 cuboctahedra. In the second Th site, Th(2) is bonded to two equivalent Ru(1), two equivalent Si(2), four equivalent Si(1), and four equivalent Si(3) atoms to form ThSi10Ru2 cuboctahedra that share edges with four equivalent Th(2)Si10Ru2 cuboctahedra, edges with eight equivalent Th(1)Si8Ru4 cuboctahedra, faces with four equivalent Th(2)Si10Ru2 cuboctahedra, and faces with four equivalent Th(1)Si8Ru4 cuboctahedra. Ru(1) is bonded in a 9-coordinate geometry to two equivalent Th(2), four equivalent Th(1), one Si(2), and two equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), two equivalent Ru(1), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Th(2), four equivalent Th(1), one Ru(1), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one Si(1), and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Th2Si3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   149.673
_cell_angle_beta   148.406
_cell_angle_gamma   44.362
_symmetry_Int_Tables_number   1
_cell_volume   123.454
_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
  Th  Th0  1  0.748  0.248  0.500  1.0
  Th  Th1  1  0.003  0.003  0.000  1.0
  Si  Si2  1  0.583  0.583  0.000  1.0
  Si  Si3  1  0.330  0.830  0.500  1.0
  Si  Si4  1  0.419  0.419  0.000  1.0
  Ru  Ru5  1  0.167  0.667  0.500  1.0
[/CIF]
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