The material structure described by UFe6Ga6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(3), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_U(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.602
_cell_length_b   6.602
_cell_length_c   6.602
_cell_angle_alpha   135.689
_cell_angle_beta   99.089
_cell_angle_gamma   97.266
_symmetry_Int_Tables_number   1
_cell_volume   186.164
_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
  Ga  Ga1  1  0.351  0.351  0.000  1.0
  Ga  Ga2  1  0.199  0.699  0.500  1.0
  Ga  Ga3  1  0.659  0.000  0.659  1.0
  Ga  Ga4  1  0.801  0.301  0.500  1.0
  Ga  Ga5  1  0.649  0.649  0.000  1.0
  Ga  Ga6  1  0.341  0.000  0.341  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.769  0.500  0.269  1.0
  Fe  Fe9  1  0.231  0.500  0.731  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.000  1.0
  Fe  Fe12  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by UFe6Ga6 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 20-coordinate geometry to four equivalent Fe(2), eight equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(3), and four equivalent Ga(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent U(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent U(1), four equivalent Fe(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing FeU2Ga6Fe4 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Fe(2), four equivalent Fe(1), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Fe(2), four equivalent Fe(1), one Ga(3), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_U(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.602
_cell_length_b   6.602
_cell_length_c   6.602
_cell_angle_alpha   135.689
_cell_angle_beta   99.089
_cell_angle_gamma   97.266
_symmetry_Int_Tables_number   1
_cell_volume   186.164
_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
  Ga  Ga1  1  0.351  0.351  0.000  1.0
  Ga  Ga2  1  0.199  0.699  0.500  1.0
  Ga  Ga3  1  0.659  0.000  0.659  1.0
  Ga  Ga4  1  0.801  0.301  0.500  1.0
  Ga  Ga5  1  0.649  0.649  0.000  1.0
  Ga  Ga6  1  0.341  0.000  0.341  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.769  0.500  0.269  1.0
  Fe  Fe9  1  0.231  0.500  0.731  1.0
  Fe  Fe10  1  0.500  0.500  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.000  1.0
  Fe  Fe12  1  0.000  0.000  0.500  1.0
[/CIF]
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