The material structure described by W2ReBr crystallizes in the cubic F-43m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to four equivalent W(2), four equivalent Re(1), and six equivalent Br(1) atoms to form distorted WRe4W4Br6 tetrahedra that share corners with six equivalent W(1)Re4W4Br6 tetrahedra, corners with twelve equivalent W(2)W4Br4 tetrahedra, faces with four equivalent W(2)W4Br4 tetrahedra, and faces with twelve equivalent W(1)Re4W4Br6 tetrahedra. In the second W site, W(2) is bonded to four equivalent W(1) and four equivalent Br(1) atoms to form distorted WW4Br4 tetrahedra that share corners with twelve equivalent W(1)Re4W4Br6 tetrahedra, edges with twelve equivalent W(2)W4Br4 tetrahedra, and faces with four equivalent W(1)Re4W4Br6 tetrahedra. Re(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(1) and four equivalent Br(1) atoms. Br(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(2), six equivalent W(1), and four equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_ReW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.545
_cell_length_b   4.545
_cell_length_c   4.545
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.402
_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  0.750  0.750  0.750  1.0
  W  W1  1  0.000  0.000  0.000  1.0
  W  W2  1  0.250  0.250  0.250  1.0
  Br  Br3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by W2ReBr crystallizes in the cubic F-43m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to four equivalent W(2), four equivalent Re(1), and six equivalent Br(1) atoms to form distorted WRe4W4Br6 tetrahedra that share corners with six equivalent W(1)Re4W4Br6 tetrahedra, corners with twelve equivalent W(2)W4Br4 tetrahedra, faces with four equivalent W(2)W4Br4 tetrahedra, and faces with twelve equivalent W(1)Re4W4Br6 tetrahedra. In the second W site, W(2) is bonded to four equivalent W(1) and four equivalent Br(1) atoms to form distorted WW4Br4 tetrahedra that share corners with twelve equivalent W(1)Re4W4Br6 tetrahedra, edges with twelve equivalent W(2)W4Br4 tetrahedra, and faces with four equivalent W(1)Re4W4Br6 tetrahedra. Re(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(1) and four equivalent Br(1) atoms. Br(1) is bonded in a distorted body-centered cubic geometry to four equivalent W(2), six equivalent W(1), and four equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_ReW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.545
_cell_length_b   4.545
_cell_length_c   4.545
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   66.402
_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  0.750  0.750  0.750  1.0
  W  W1  1  0.000  0.000  0.000  1.0
  W  W2  1  0.250  0.250  0.250  1.0
  Br  Br3  1  0.500  0.500  0.500  1.0
[/CIF]
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