The structure described by ThZr2 is alpha Samarium-derived structured and crystallizes in the orthorhombic Fmmm space group. Th(1) is bonded to four equivalent Th(1) and eight equivalent Zr(1) atoms to form ThTh4Zr8 cuboctahedra that share corners with four equivalent Th(1)Th4Zr8 cuboctahedra, corners with eight equivalent Zr(1)Th4Zr8 cuboctahedra, edges with twenty-four equivalent Zr(1)Th4Zr8 cuboctahedra, faces with eight equivalent Th(1)Th4Zr8 cuboctahedra, and faces with ten equivalent Zr(1)Th4Zr8 cuboctahedra. Zr(1) is bonded to four equivalent Th(1) and eight equivalent Zr(1) atoms to form ZrTh4Zr8 cuboctahedra that share corners with four equivalent Th(1)Th4Zr8 cuboctahedra, corners with eight equivalent Zr(1)Th4Zr8 cuboctahedra, edges with twelve equivalent Th(1)Th4Zr8 cuboctahedra, edges with twelve equivalent Zr(1)Th4Zr8 cuboctahedra, faces with five equivalent Th(1)Th4Zr8 cuboctahedra, and faces with thirteen equivalent Zr(1)Th4Zr8 cuboctahedra. is represented by the CIF file [CIF]
data_ThZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.390
_cell_length_b   3.390
_cell_length_c   7.232
_cell_angle_alpha   103.243
_cell_angle_beta   103.243
_cell_angle_gamma   91.292
_symmetry_Int_Tables_number   1
_cell_volume   78.503
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.673  0.673  0.347  1.0
  Zr  Zr2  1  0.327  0.327  0.653  1.0
[/CIF]
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The structure described by ThZr2 is alpha Samarium-derived structured and crystallizes in the orthorhombic Fmmm space group. Th(1) is bonded to four equivalent Th(1) and eight equivalent Zr(1) atoms to form ThTh4Zr8 cuboctahedra that share corners with four equivalent Th(1)Th4Zr8 cuboctahedra, corners with eight equivalent Zr(1)Th4Zr8 cuboctahedra, edges with twenty-four equivalent Zr(1)Th4Zr8 cuboctahedra, faces with eight equivalent Th(1)Th4Zr8 cuboctahedra, and faces with ten equivalent Zr(1)Th4Zr8 cuboctahedra. Zr(1) is bonded to four equivalent Th(1) and eight equivalent Zr(1) atoms to form ZrTh4Zr8 cuboctahedra that share corners with four equivalent Th(1)Th4Zr8 cuboctahedra, corners with eight equivalent Zr(1)Th4Zr8 cuboctahedra, edges with twelve equivalent Th(1)Th4Zr8 cuboctahedra, edges with twelve equivalent Zr(1)Th4Zr8 cuboctahedra, faces with five equivalent Th(1)Th4Zr8 cuboctahedra, and faces with thirteen equivalent Zr(1)Th4Zr8 cuboctahedra. is represented by the CIF file [CIF]
data_ThZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.390
_cell_length_b   3.390
_cell_length_c   7.232
_cell_angle_alpha   103.243
_cell_angle_beta   103.243
_cell_angle_gamma   91.292
_symmetry_Int_Tables_number   1
_cell_volume   78.503
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.673  0.673  0.347  1.0
  Zr  Zr2  1  0.327  0.327  0.653  1.0
[/CIF]
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