The structure described by Y2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(2), one Ga(3), and three equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Cu(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(2), one Cu(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.334
_cell_length_b   4.334
_cell_length_c   7.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   118.440
_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
  Y  Y0  1  0.333  0.667  0.768  1.0
  Y  Y1  1  0.333  0.667  0.238  1.0
  Ga  Ga2  1  0.000  0.000  0.020  1.0
  Ga  Ga3  1  0.000  0.000  0.458  1.0
  Ga  Ga4  1  0.667  0.333  0.547  1.0
  Cu  Cu5  1  0.667  0.333  0.969  1.0
[/CIF]
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The structure described by Y2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(2), and three equivalent Ga(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(2), one Ga(3), and three equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Cu(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(2), and three equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(2), one Cu(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.334
_cell_length_b   4.334
_cell_length_c   7.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   118.440
_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
  Y  Y0  1  0.333  0.667  0.768  1.0
  Y  Y1  1  0.333  0.667  0.238  1.0
  Ga  Ga2  1  0.000  0.000  0.020  1.0
  Ga  Ga3  1  0.000  0.000  0.458  1.0
  Ga  Ga4  1  0.667  0.333  0.547  1.0
  Cu  Cu5  1  0.667  0.333  0.969  1.0
[/CIF]
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