The material described by ThOsIr is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. Th(1) is bonded in a 12-coordinate geometry to six equivalent Os(1) and six equivalent Ir(1) atoms. Os(1) is bonded to six equivalent Th(1), two equivalent Os(1), and four equivalent Ir(1) atoms to form OsTh6Ir4Os2 cuboctahedra that share corners with eight equivalent Ir(1)Th6Ir2Os4 cuboctahedra, corners with ten equivalent Os(1)Th6Ir4Os2 cuboctahedra, edges with six equivalent Os(1)Th6Ir4Os2 cuboctahedra, faces with six equivalent Os(1)Th6Ir4Os2 cuboctahedra, and faces with twelve equivalent Ir(1)Th6Ir2Os4 cuboctahedra. Ir(1) is bonded to six equivalent Th(1), four equivalent Os(1), and two equivalent Ir(1) atoms to form IrTh6Ir2Os4 cuboctahedra that share corners with eight equivalent Os(1)Th6Ir4Os2 cuboctahedra, corners with ten equivalent Ir(1)Th6Ir2Os4 cuboctahedra, edges with six equivalent Ir(1)Th6Ir2Os4 cuboctahedra, faces with six equivalent Ir(1)Th6Ir2Os4 cuboctahedra, and faces with twelve equivalent Os(1)Th6Ir4Os2 cuboctahedra. is represented by the CIF file [CIF]
data_ThIrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   5.511
_cell_angle_alpha   123.342
_cell_angle_beta   119.687
_cell_angle_gamma   87.426
_symmetry_Int_Tables_number   1
_cell_volume   115.339
_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  0.128  0.878  0.250  1.0
  Th  Th1  1  0.872  0.122  0.750  1.0
  Ir  Ir2  1  0.000  0.500  0.500  1.0
  Ir  Ir3  1  0.500  0.500  0.000  1.0
  Os  Os4  1  0.500  0.000  0.000  1.0
  Os  Os5  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by ThOsIr is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. Th(1) is bonded in a 12-coordinate geometry to six equivalent Os(1) and six equivalent Ir(1) atoms. Os(1) is bonded to six equivalent Th(1), two equivalent Os(1), and four equivalent Ir(1) atoms to form OsTh6Ir4Os2 cuboctahedra that share corners with eight equivalent Ir(1)Th6Ir2Os4 cuboctahedra, corners with ten equivalent Os(1)Th6Ir4Os2 cuboctahedra, edges with six equivalent Os(1)Th6Ir4Os2 cuboctahedra, faces with six equivalent Os(1)Th6Ir4Os2 cuboctahedra, and faces with twelve equivalent Ir(1)Th6Ir2Os4 cuboctahedra. Ir(1) is bonded to six equivalent Th(1), four equivalent Os(1), and two equivalent Ir(1) atoms to form IrTh6Ir2Os4 cuboctahedra that share corners with eight equivalent Os(1)Th6Ir4Os2 cuboctahedra, corners with ten equivalent Ir(1)Th6Ir2Os4 cuboctahedra, edges with six equivalent Ir(1)Th6Ir2Os4 cuboctahedra, faces with six equivalent Ir(1)Th6Ir2Os4 cuboctahedra, and faces with twelve equivalent Os(1)Th6Ir4Os2 cuboctahedra. is represented by the CIF file [CIF]
data_ThIrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.511
_cell_length_c   5.511
_cell_angle_alpha   123.342
_cell_angle_beta   119.687
_cell_angle_gamma   87.426
_symmetry_Int_Tables_number   1
_cell_volume   115.339
_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  0.128  0.878  0.250  1.0
  Th  Th1  1  0.872  0.122  0.750  1.0
  Ir  Ir2  1  0.000  0.500  0.500  1.0
  Ir  Ir3  1  0.500  0.500  0.000  1.0
  Os  Os4  1  0.500  0.000  0.000  1.0
  Os  Os5  1  0.500  0.500  0.500  1.0
[/CIF]
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