The material described by SrHfRe2 crystallizes in the cubic F-43m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hf(1), four equivalent Re(1), and six equivalent Re(2) atoms. Hf(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Re(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Sr(1) and four equivalent Re(2) atoms to form distorted ReSr4Re4 tetrahedra that share corners with twelve equivalent Re(2)Sr6Hf4Re4 tetrahedra, edges with twelve equivalent Re(1)Sr4Re4 tetrahedra, and faces with four equivalent Re(2)Sr6Hf4Re4 tetrahedra. In the second Re site, Re(2) is bonded to six equivalent Sr(1), four equivalent Hf(1), and four equivalent Re(1) atoms to form distorted ReSr6Hf4Re4 tetrahedra that share corners with six equivalent Re(2)Sr6Hf4Re4 tetrahedra, corners with twelve equivalent Re(1)Sr4Re4 tetrahedra, faces with four equivalent Re(1)Sr4Re4 tetrahedra, and faces with twelve equivalent Re(2)Sr6Hf4Re4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrHfRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   4.745
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.564
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Hf  Hf1  1  0.250  0.250  0.250  1.0
  Re  Re2  1  0.750  0.750  0.750  1.0
  Re  Re3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by SrHfRe2 crystallizes in the cubic F-43m space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hf(1), four equivalent Re(1), and six equivalent Re(2) atoms. Hf(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Re(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent Sr(1) and four equivalent Re(2) atoms to form distorted ReSr4Re4 tetrahedra that share corners with twelve equivalent Re(2)Sr6Hf4Re4 tetrahedra, edges with twelve equivalent Re(1)Sr4Re4 tetrahedra, and faces with four equivalent Re(2)Sr6Hf4Re4 tetrahedra. In the second Re site, Re(2) is bonded to six equivalent Sr(1), four equivalent Hf(1), and four equivalent Re(1) atoms to form distorted ReSr6Hf4Re4 tetrahedra that share corners with six equivalent Re(2)Sr6Hf4Re4 tetrahedra, corners with twelve equivalent Re(1)Sr4Re4 tetrahedra, faces with four equivalent Re(1)Sr4Re4 tetrahedra, and faces with twelve equivalent Re(2)Sr6Hf4Re4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrHfRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.745
_cell_length_b   4.745
_cell_length_c   4.745
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   75.564
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Hf  Hf1  1  0.250  0.250  0.250  1.0
  Re  Re2  1  0.750  0.750  0.750  1.0
  Re  Re3  1  0.000  0.000  0.000  1.0
[/CIF]
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