The crystal structure described by U2Cu3Ga5 crystallizes in the tetragonal P4mm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 16-coordinate geometry to four equivalent Cu(3), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. In the second U site, U(2) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent U(2), one Cu(2), and four equivalent Ga(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent U(2), one Cu(1), and four equivalent Ga(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent U(1), one Ga(3), and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent Cu(2), two equivalent Ga(3), and four equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent U(1), two equivalent U(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form a mixture of distorted edge and face-sharing GaU4Cu4 tetrahedra. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent U(1), one Cu(3), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Ga5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.125
_cell_length_b   4.125
_cell_length_c   10.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.279
_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  0.999  1.0
  U  U1  1  0.500  0.500  0.509  1.0
  Ga  Ga2  1  0.000  0.500  0.259  1.0
  Ga  Ga3  1  0.500  0.000  0.747  1.0
  Ga  Ga4  1  0.500  0.000  0.259  1.0
  Ga  Ga5  1  0.000  0.500  0.747  1.0
  Ga  Ga6  1  0.500  0.500  0.102  1.0
  Cu  Cu7  1  0.000  0.000  0.614  1.0
  Cu  Cu8  1  0.000  0.000  0.387  1.0
  Cu  Cu9  1  0.500  0.500  0.875  1.0
[/CIF]
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The crystal structure described by U2Cu3Ga5 crystallizes in the tetragonal P4mm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 16-coordinate geometry to four equivalent Cu(3), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. In the second U site, U(2) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent U(2), one Cu(2), and four equivalent Ga(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to four equivalent U(2), one Cu(1), and four equivalent Ga(1) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to four equivalent U(1), one Ga(3), and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent Cu(2), two equivalent Ga(3), and four equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent U(1), two equivalent U(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form a mixture of distorted edge and face-sharing GaU4Cu4 tetrahedra. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent U(1), one Cu(3), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Ga5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.125
_cell_length_b   4.125
_cell_length_c   10.243
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.279
_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  0.999  1.0
  U  U1  1  0.500  0.500  0.509  1.0
  Ga  Ga2  1  0.000  0.500  0.259  1.0
  Ga  Ga3  1  0.500  0.000  0.747  1.0
  Ga  Ga4  1  0.500  0.000  0.259  1.0
  Ga  Ga5  1  0.000  0.500  0.747  1.0
  Ga  Ga6  1  0.500  0.500  0.102  1.0
  Cu  Cu7  1  0.000  0.000  0.614  1.0
  Cu  Cu8  1  0.000  0.000  0.387  1.0
  Cu  Cu9  1  0.500  0.500  0.875  1.0
[/CIF]
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