The material described by U4Re7Si6 crystallizes in the cubic Im-3m space group. U(1) is bonded to six equivalent Re(1) and six equivalent Si(1) atoms to form URe6Si6 cuboctahedra that share corners with twelve equivalent U(1)Re6Si6 cuboctahedra, edges with twelve equivalent Re(1)U4Re4Si4 cuboctahedra, faces with six equivalent U(1)Re6Si6 cuboctahedra, faces with six equivalent Re(1)U4Re4Si4 cuboctahedra, and faces with two equivalent Re(2)Si6 octahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent U(1), four equivalent Re(1), and four equivalent Si(1) atoms to form distorted ReU4Re4Si4 cuboctahedra that share corners with four equivalent Re(1)U4Re4Si4 cuboctahedra, corners with four equivalent Re(2)Si6 octahedra, edges with eight equivalent U(1)Re6Si6 cuboctahedra, edges with eight equivalent Re(1)U4Re4Si4 cuboctahedra, faces with four equivalent U(1)Re6Si6 cuboctahedra, and faces with six equivalent Re(1)U4Re4Si4 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. In the second Re site, Re(2) is bonded to six equivalent Si(1) atoms to form ReSi6 octahedra that share corners with twenty-four equivalent Re(1)U4Re4Si4 cuboctahedra and faces with eight equivalent U(1)Re6Si6 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), one Re(2), and four equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U4Re7Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.127
_cell_length_b   7.127
_cell_length_c   7.128
_cell_angle_alpha   109.472
_cell_angle_beta   109.472
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   278.723
_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
  U  U0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.500  0.000  0.000  1.0
  U  U2  1  0.000  0.500  0.000  1.0
  U  U3  1  1.000  0.000  0.500  1.0
  Re  Re4  1  0.500  0.750  0.250  1.0
  Re  Re5  1  0.750  0.500  0.250  1.0
  Re  Re6  1  0.250  0.500  0.750  1.0
  Re  Re7  1  0.750  0.250  0.500  1.0
  Re  Re8  1  0.250  0.750  0.500  1.0
  Re  Re9  1  0.500  0.250  0.750  1.0
  Re  Re10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.311  0.311  1.0
  Si  Si12  1  0.311  0.000  0.311  1.0
  Si  Si13  1  0.689  1.000  0.689  1.0
  Si  Si14  1  0.689  0.689  0.000  1.0
  Si  Si15  1  0.311  0.311  1.000  1.0
  Si  Si16  1  0.000  0.689  0.689  1.0
[/CIF]
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The material described by U4Re7Si6 crystallizes in the cubic Im-3m space group. U(1) is bonded to six equivalent Re(1) and six equivalent Si(1) atoms to form URe6Si6 cuboctahedra that share corners with twelve equivalent U(1)Re6Si6 cuboctahedra, edges with twelve equivalent Re(1)U4Re4Si4 cuboctahedra, faces with six equivalent U(1)Re6Si6 cuboctahedra, faces with six equivalent Re(1)U4Re4Si4 cuboctahedra, and faces with two equivalent Re(2)Si6 octahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to four equivalent U(1), four equivalent Re(1), and four equivalent Si(1) atoms to form distorted ReU4Re4Si4 cuboctahedra that share corners with four equivalent Re(1)U4Re4Si4 cuboctahedra, corners with four equivalent Re(2)Si6 octahedra, edges with eight equivalent U(1)Re6Si6 cuboctahedra, edges with eight equivalent Re(1)U4Re4Si4 cuboctahedra, faces with four equivalent U(1)Re6Si6 cuboctahedra, and faces with six equivalent Re(1)U4Re4Si4 cuboctahedra. The corner-sharing octahedral tilt angles are 53°. In the second Re site, Re(2) is bonded to six equivalent Si(1) atoms to form ReSi6 octahedra that share corners with twenty-four equivalent Re(1)U4Re4Si4 cuboctahedra and faces with eight equivalent U(1)Re6Si6 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent U(1), one Re(2), and four equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U4Re7Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.127
_cell_length_b   7.127
_cell_length_c   7.128
_cell_angle_alpha   109.472
_cell_angle_beta   109.472
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   278.723
_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
  U  U0  1  0.500  0.500  0.500  1.0
  U  U1  1  0.500  0.000  0.000  1.0
  U  U2  1  0.000  0.500  0.000  1.0
  U  U3  1  1.000  0.000  0.500  1.0
  Re  Re4  1  0.500  0.750  0.250  1.0
  Re  Re5  1  0.750  0.500  0.250  1.0
  Re  Re6  1  0.250  0.500  0.750  1.0
  Re  Re7  1  0.750  0.250  0.500  1.0
  Re  Re8  1  0.250  0.750  0.500  1.0
  Re  Re9  1  0.500  0.250  0.750  1.0
  Re  Re10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.311  0.311  1.0
  Si  Si12  1  0.311  0.000  0.311  1.0
  Si  Si13  1  0.689  1.000  0.689  1.0
  Si  Si14  1  0.689  0.689  0.000  1.0
  Si  Si15  1  0.311  0.311  1.000  1.0
  Si  Si16  1  0.000  0.689  0.689  1.0
[/CIF]
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