The material structure described by Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Au(1) and four equivalent Se(1) atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent Re(1)Au6Se4 tetrahedra, edges with twelve equivalent Re(2)Au4Se6 tetrahedra, faces with four equivalent Re(2)Au4Se6 tetrahedra, and faces with twelve equivalent Re(1)Au6Se4 tetrahedra. In the second Re site, Re(2) is bonded to four equivalent Au(1) and six equivalent Se(1) atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent Re(2)Au4Se6 tetrahedra, edges with twelve equivalent Re(1)Au6Se4 tetrahedra, faces with four equivalent Re(1)Au6Se4 tetrahedra, and faces with twelve equivalent Re(2)Au4Se6 tetrahedra. Au(1) is bonded in a 14-coordinate geometry to four equivalent Re(2), six equivalent Re(1), and four equivalent Se(1) atoms. Se(1) is bonded in a 14-coordinate geometry to four equivalent Re(1), six equivalent Re(2), and four equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.543
_cell_length_b   4.543
_cell_length_c   4.543
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.282
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Au(1) and four equivalent Se(1) atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent Re(1)Au6Se4 tetrahedra, edges with twelve equivalent Re(2)Au4Se6 tetrahedra, faces with four equivalent Re(2)Au4Se6 tetrahedra, and faces with twelve equivalent Re(1)Au6Se4 tetrahedra. In the second Re site, Re(2) is bonded to four equivalent Au(1) and six equivalent Se(1) atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent Re(2)Au4Se6 tetrahedra, edges with twelve equivalent Re(1)Au6Se4 tetrahedra, faces with four equivalent Re(1)Au6Se4 tetrahedra, and faces with twelve equivalent Re(2)Au4Se6 tetrahedra. Au(1) is bonded in a 14-coordinate geometry to four equivalent Re(2), six equivalent Re(1), and four equivalent Se(1) atoms. Se(1) is bonded in a 14-coordinate geometry to four equivalent Re(1), six equivalent Re(2), and four equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.543
_cell_length_b   4.543
_cell_length_c   4.543
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.282
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.500  0.500  0.500  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
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