The crystal structure described by ThZr2 is alpha La-derived structured and crystallizes in the trigonal P-3m1 space group. Th(1) is bonded to six equivalent Th(1) and six equivalent Zr(1) atoms to form ThTh6Zr6 cuboctahedra that share corners with six equivalent Th(1)Th6Zr6 cuboctahedra, corners with six equivalent Zr(1)Th3Zr9 cuboctahedra, edges with six equivalent Th(1)Th6Zr6 cuboctahedra, edges with eighteen equivalent Zr(1)Th3Zr9 cuboctahedra, faces with six equivalent Th(1)Th6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Th3Zr9 cuboctahedra. Zr(1) is bonded to three equivalent Th(1) and nine equivalent Zr(1) atoms to form ZrTh3Zr9 cuboctahedra that share corners with three equivalent Th(1)Th6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Th3Zr9 cuboctahedra, edges with nine equivalent Th(1)Th6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Th3Zr9 cuboctahedra, faces with six equivalent Th(1)Th6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Th3Zr9 cuboctahedra. is represented by the CIF file [CIF]
data_ThZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.359
_cell_length_b   3.359
_cell_length_c   7.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.934
_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  0.333  0.667  0.661  1.0
  Zr  Zr2  1  0.667  0.333  0.339  1.0
[/CIF]
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The crystal structure described by ThZr2 is alpha La-derived structured and crystallizes in the trigonal P-3m1 space group. Th(1) is bonded to six equivalent Th(1) and six equivalent Zr(1) atoms to form ThTh6Zr6 cuboctahedra that share corners with six equivalent Th(1)Th6Zr6 cuboctahedra, corners with six equivalent Zr(1)Th3Zr9 cuboctahedra, edges with six equivalent Th(1)Th6Zr6 cuboctahedra, edges with eighteen equivalent Zr(1)Th3Zr9 cuboctahedra, faces with six equivalent Th(1)Th6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Th3Zr9 cuboctahedra. Zr(1) is bonded to three equivalent Th(1) and nine equivalent Zr(1) atoms to form ZrTh3Zr9 cuboctahedra that share corners with three equivalent Th(1)Th6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Th3Zr9 cuboctahedra, edges with nine equivalent Th(1)Th6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Th3Zr9 cuboctahedra, faces with six equivalent Th(1)Th6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Th3Zr9 cuboctahedra. is represented by the CIF file [CIF]
data_ThZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.359
_cell_length_b   3.359
_cell_length_c   7.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.934
_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  0.333  0.667  0.661  1.0
  Zr  Zr2  1  0.667  0.333  0.339  1.0
[/CIF]
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