The material described by ZrAuIn is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to four equivalent Au(1) and six equivalent In(1) atoms to form distorted ZrIn6Au4 tetrahedra that share corners with four equivalent In(1)Zr6Au4 tetrahedra, corners with six equivalent Zr(1)In6Au4 tetrahedra, edges with six equivalent In(1)Zr6Au4 tetrahedra, and faces with twelve equivalent Zr(1)In6Au4 tetrahedra. Au(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent In(1) atoms. In(1) is bonded to six equivalent Zr(1) and four equivalent Au(1) atoms to form distorted InZr6Au4 tetrahedra that share corners with four equivalent Zr(1)In6Au4 tetrahedra, corners with six equivalent In(1)Zr6Au4 tetrahedra, edges with six equivalent Zr(1)In6Au4 tetrahedra, and faces with twelve equivalent In(1)Zr6Au4 tetrahedra. is represented by the CIF file [CIF]
data_ZrInAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   67.752
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by ZrAuIn is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to four equivalent Au(1) and six equivalent In(1) atoms to form distorted ZrIn6Au4 tetrahedra that share corners with four equivalent In(1)Zr6Au4 tetrahedra, corners with six equivalent Zr(1)In6Au4 tetrahedra, edges with six equivalent In(1)Zr6Au4 tetrahedra, and faces with twelve equivalent Zr(1)In6Au4 tetrahedra. Au(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent In(1) atoms. In(1) is bonded to six equivalent Zr(1) and four equivalent Au(1) atoms to form distorted InZr6Au4 tetrahedra that share corners with four equivalent Zr(1)In6Au4 tetrahedra, corners with six equivalent In(1)Zr6Au4 tetrahedra, edges with six equivalent Zr(1)In6Au4 tetrahedra, and faces with twelve equivalent In(1)Zr6Au4 tetrahedra. is represented by the CIF file [CIF]
data_ZrInAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.576
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   67.752
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
[/CIF]
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