The material described by U2RhSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent Rh(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form USi10Rh2 cuboctahedra that share edges with four equivalent U(1)Si10Rh2 cuboctahedra, edges with eight equivalent U(2)Si8Rh4 cuboctahedra, faces with four equivalent U(1)Si10Rh2 cuboctahedra, and faces with four equivalent U(2)Si8Rh4 cuboctahedra. In the second U site, U(2) is bonded to four equivalent Rh(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form USi8Rh4 cuboctahedra that share edges with four equivalent U(2)Si8Rh4 cuboctahedra, edges with eight equivalent U(1)Si10Rh2 cuboctahedra, faces with four equivalent U(1)Si10Rh2 cuboctahedra, and faces with four equivalent U(2)Si8Rh4 cuboctahedra. Rh(1) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent U(2), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent U(2), four equivalent U(1), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent U(2), four equivalent U(1), two equivalent Rh(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent U(2), one Rh(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Si3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   4.179
_cell_length_c   7.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.439
_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
  U  U0  1  0.000  0.500  1.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.500  0.000  0.832  1.0
  Si  Si3  1  0.500  0.000  0.160  1.0
  Si  Si4  1  0.500  0.500  0.674  1.0
  Rh  Rh5  1  0.500  0.500  0.335  1.0
[/CIF]
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The material described by U2RhSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent Rh(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form USi10Rh2 cuboctahedra that share edges with four equivalent U(1)Si10Rh2 cuboctahedra, edges with eight equivalent U(2)Si8Rh4 cuboctahedra, faces with four equivalent U(1)Si10Rh2 cuboctahedra, and faces with four equivalent U(2)Si8Rh4 cuboctahedra. In the second U site, U(2) is bonded to four equivalent Rh(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form USi8Rh4 cuboctahedra that share edges with four equivalent U(2)Si8Rh4 cuboctahedra, edges with eight equivalent U(1)Si10Rh2 cuboctahedra, faces with four equivalent U(1)Si10Rh2 cuboctahedra, and faces with four equivalent U(2)Si8Rh4 cuboctahedra. Rh(1) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent U(2), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent U(2), four equivalent U(1), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent U(2), four equivalent U(1), two equivalent Rh(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent U(1), four equivalent U(2), one Rh(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Si3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   4.179
_cell_length_c   7.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.439
_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
  U  U0  1  0.000  0.500  1.000  1.0
  U  U1  1  0.000  0.000  0.500  1.0
  Si  Si2  1  0.500  0.000  0.832  1.0
  Si  Si3  1  0.500  0.000  0.160  1.0
  Si  Si4  1  0.500  0.500  0.674  1.0
  Rh  Rh5  1  0.500  0.500  0.335  1.0
[/CIF]
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