The structure described by U(ReFe5)2 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Re(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. Re(1) is bonded in a 14-coordinate geometry to one U(1), one Re(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Re(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Fe8Re2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Re(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent U(1), two equivalent Re(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Fe8Re2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one U(1), four equivalent Re(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_U(Fe5Re)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.603
_cell_length_b   6.433
_cell_length_c   6.433
_cell_angle_alpha   96.353
_cell_angle_beta   110.962
_cell_angle_gamma   69.038
_symmetry_Int_Tables_number   1
_cell_volume   166.094
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.714  0.786  0.214  1.0
  Fe  Fe2  1  0.286  0.214  0.786  1.0
  Fe  Fe3  1  0.500  0.778  0.778  1.0
  Fe  Fe4  1  0.500  0.222  0.222  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.645  0.355  0.645  1.0
  Fe  Fe10  1  0.355  0.645  0.355  1.0
  Re  Re11  1  0.000  0.356  0.356  1.0
  Re  Re12  1  0.000  0.644  0.644  1.0
[/CIF]
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The structure described by U(ReFe5)2 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to two equivalent Re(1), two equivalent Fe(4), four equivalent Fe(1), four equivalent Fe(2), and eight equivalent Fe(3) atoms. Re(1) is bonded in a 14-coordinate geometry to one U(1), one Re(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Re(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Fe8Re2 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Re(1), two equivalent Fe(1), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to two equivalent U(1), two equivalent Re(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Fe8Re2 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one U(1), four equivalent Re(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. is represented by the CIF card [CIF]
data_U(Fe5Re)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.603
_cell_length_b   6.433
_cell_length_c   6.433
_cell_angle_alpha   96.353
_cell_angle_beta   110.962
_cell_angle_gamma   69.038
_symmetry_Int_Tables_number   1
_cell_volume   166.094
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.714  0.786  0.214  1.0
  Fe  Fe2  1  0.286  0.214  0.786  1.0
  Fe  Fe3  1  0.500  0.778  0.778  1.0
  Fe  Fe4  1  0.500  0.222  0.222  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.500  0.500  0.000  1.0
  Fe  Fe8  1  0.000  0.500  0.000  1.0
  Fe  Fe9  1  0.645  0.355  0.645  1.0
  Fe  Fe10  1  0.355  0.645  0.355  1.0
  Re  Re11  1  0.000  0.356  0.356  1.0
  Re  Re12  1  0.000  0.644  0.644  1.0
[/CIF]
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