The compound described by UFeGa5 crystallizes in the tetragonal P4/mmm space group. U(1) is bonded to four equivalent Ga(1) and eight Ga(2,2) atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent U(1)Ga12 cuboctahedra, faces with four equivalent U(1)Ga12 cuboctahedra, and faces with four equivalent Ga(1)U4Ga8 cuboctahedra. Fe(1) is bonded in a distorted body-centered cubic geometry to eight Ga(2,2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent U(1) and eight Ga(2,2) atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent Ga(1)U4Ga8 cuboctahedra, faces with four equivalent U(1)Ga12 cuboctahedra, and faces with four equivalent Ga(1)U4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent U(1); two equivalent Fe(1); two equivalent Ga(1); and five Ga(2,2) atoms. In the third Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent U(1); two equivalent Fe(1); two equivalent Ga(1); and five Ga(2,2) atoms. is represented by the CIF file [CIF]
data_UGa5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.301
_cell_length_b   4.301
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.437
_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  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.691  1.0
  Ga  Ga3  1  0.000  0.500  0.691  1.0
  Ga  Ga4  1  0.500  0.000  0.309  1.0
  Ga  Ga5  1  0.000  0.500  0.309  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by UFeGa5 crystallizes in the tetragonal P4/mmm space group. U(1) is bonded to four equivalent Ga(1) and eight Ga(2,2) atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent U(1)Ga12 cuboctahedra, faces with four equivalent U(1)Ga12 cuboctahedra, and faces with four equivalent Ga(1)U4Ga8 cuboctahedra. Fe(1) is bonded in a distorted body-centered cubic geometry to eight Ga(2,2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent U(1) and eight Ga(2,2) atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent Ga(1)U4Ga8 cuboctahedra, faces with four equivalent U(1)Ga12 cuboctahedra, and faces with four equivalent Ga(1)U4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent U(1); two equivalent Fe(1); two equivalent Ga(1); and five Ga(2,2) atoms. In the third Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent U(1); two equivalent Fe(1); two equivalent Ga(1); and five Ga(2,2) atoms. is represented by the CIF file [CIF]
data_UGa5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.301
_cell_length_b   4.301
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.437
_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  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.691  1.0
  Ga  Ga3  1  0.000  0.500  0.691  1.0
  Ga  Ga4  1  0.500  0.000  0.309  1.0
  Ga  Ga5  1  0.000  0.500  0.309  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
[/CIF]
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