The compound described by U(Cu3Ga)2 crystallizes in the trigonal R3m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 19-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), six equivalent Cu(2), one Ga(2), and three equivalent Ga(1) atoms. In the second U site, U(2) is bonded in a 18-coordinate geometry to three equivalent Cu(2), six equivalent Cu(1), six equivalent Cu(3), and three equivalent Ga(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one U(1), one U(2), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Ga(2), and two equivalent Ga(1) atoms. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), two equivalent Cu(3), four equivalent Cu(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of face, corner, and edge-sharing CuU3Ga3Cu6 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one U(1), two equivalent U(2), two equivalent Cu(2), four equivalent Cu(1), and two equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to one U(1), one U(2), two equivalent Cu(2), two equivalent Cu(3), four equivalent Cu(1), and one Ga(2) atom. In the second Ga site, Ga(2) is bonded in a 13-coordinate geometry to one U(1), three equivalent Cu(2), six equivalent Cu(1), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_U(GaCu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.494
_cell_angle_alpha   84.378
_cell_angle_beta   84.378
_cell_angle_gamma   84.378
_symmetry_Int_Tables_number   1
_cell_volume   270.202
_cell_formula_units_Z   2
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  0.346  0.346  0.346  1.0
  U  U1  1  0.651  0.651  0.651  1.0
  Ga  Ga2  1  0.993  0.524  0.993  1.0
  Ga  Ga3  1  0.524  0.993  0.993  1.0
  Ga  Ga4  1  0.993  0.993  0.524  1.0
  Ga  Ga5  1  0.068  0.068  0.068  1.0
  Cu  Cu6  1  0.307  0.002  0.699  1.0
  Cu  Cu7  1  0.002  0.699  0.307  1.0
  Cu  Cu8  1  0.699  0.307  0.002  1.0
  Cu  Cu9  1  0.002  0.307  0.699  1.0
  Cu  Cu10  1  0.307  0.699  0.002  1.0
  Cu  Cu11  1  0.699  0.002  0.307  1.0
  Cu  Cu12  1  0.349  0.349  0.847  1.0
  Cu  Cu13  1  0.349  0.847  0.349  1.0
  Cu  Cu14  1  0.847  0.349  0.349  1.0
  Cu  Cu15  1  0.650  0.650  0.167  1.0
  Cu  Cu16  1  0.650  0.167  0.650  1.0
  Cu  Cu17  1  0.167  0.650  0.650  1.0
[/CIF]
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The compound described by U(Cu3Ga)2 crystallizes in the trigonal R3m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 19-coordinate geometry to three equivalent Cu(3), six equivalent Cu(1), six equivalent Cu(2), one Ga(2), and three equivalent Ga(1) atoms. In the second U site, U(2) is bonded in a 18-coordinate geometry to three equivalent Cu(2), six equivalent Cu(1), six equivalent Cu(3), and three equivalent Ga(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one U(1), one U(2), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Ga(2), and two equivalent Ga(1) atoms. In the second Cu site, Cu(2) is bonded to one U(2), two equivalent U(1), two equivalent Cu(3), four equivalent Cu(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of face, corner, and edge-sharing CuU3Ga3Cu6 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to one U(1), two equivalent U(2), two equivalent Cu(2), four equivalent Cu(1), and two equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to one U(1), one U(2), two equivalent Cu(2), two equivalent Cu(3), four equivalent Cu(1), and one Ga(2) atom. In the second Ga site, Ga(2) is bonded in a 13-coordinate geometry to one U(1), three equivalent Cu(2), six equivalent Cu(1), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_U(GaCu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   6.494
_cell_length_c   6.494
_cell_angle_alpha   84.378
_cell_angle_beta   84.378
_cell_angle_gamma   84.378
_symmetry_Int_Tables_number   1
_cell_volume   270.202
_cell_formula_units_Z   2
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  0.346  0.346  0.346  1.0
  U  U1  1  0.651  0.651  0.651  1.0
  Ga  Ga2  1  0.993  0.524  0.993  1.0
  Ga  Ga3  1  0.524  0.993  0.993  1.0
  Ga  Ga4  1  0.993  0.993  0.524  1.0
  Ga  Ga5  1  0.068  0.068  0.068  1.0
  Cu  Cu6  1  0.307  0.002  0.699  1.0
  Cu  Cu7  1  0.002  0.699  0.307  1.0
  Cu  Cu8  1  0.699  0.307  0.002  1.0
  Cu  Cu9  1  0.002  0.307  0.699  1.0
  Cu  Cu10  1  0.307  0.699  0.002  1.0
  Cu  Cu11  1  0.699  0.002  0.307  1.0
  Cu  Cu12  1  0.349  0.349  0.847  1.0
  Cu  Cu13  1  0.349  0.847  0.349  1.0
  Cu  Cu14  1  0.847  0.349  0.349  1.0
  Cu  Cu15  1  0.650  0.650  0.167  1.0
  Cu  Cu16  1  0.650  0.167  0.650  1.0
  Cu  Cu17  1  0.167  0.650  0.650  1.0
[/CIF]
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