The structure described by Y3(CuGa2)2 crystallizes in the trigonal P3m1 space group. There are six 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(3), and three equivalent Ga(6) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Cu(2), three equivalent Ga(2), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the third Y site, Y(3) is bonded in a 12-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Ga(5), and three equivalent Ga(8) atoms. In the fourth Y site, Y(4) is bonded in a 12-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Ga(3), and three equivalent Ga(6) atoms. In the fifth Y site, Y(5) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the sixth Y site, Y(6) is bonded in a 12-coordinate geometry to three equivalent Cu(2), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(5), one Ga(6), and three equivalent Ga(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(6), one Ga(7), and three equivalent Ga(2) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(4), and three equivalent Cu(4) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(4), and three equivalent Cu(3) atoms. There are eight 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(5), and three equivalent Cu(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(6), and three equivalent Cu(2) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(4), and three equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(5), and three equivalent Ga(7) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(6), and three equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(4), one Cu(1), and three equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Y(2), three equivalent Y(5), one Cu(2), and three equivalent Ga(4) atoms. In the eighth Ga site, Ga(8) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(6), and three equivalent Ga(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(Ga2Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.290
_cell_length_b   4.290
_cell_length_c   22.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.374
_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
  Y  Y0  1  0.333  0.667  0.256  1.0
  Y  Y1  1  0.333  0.667  0.589  1.0
  Y  Y2  1  0.333  0.667  0.922  1.0
  Y  Y3  1  0.333  0.667  0.079  1.0
  Y  Y4  1  0.333  0.667  0.413  1.0
  Y  Y5  1  0.333  0.667  0.745  1.0
  Ga  Ga6  1  0.000  0.000  0.338  1.0
  Ga  Ga7  1  0.000  0.000  0.671  1.0
  Ga  Ga8  1  0.000  0.000  0.155  1.0
  Ga  Ga9  1  0.000  0.000  0.487  1.0
  Ga  Ga10  1  0.000  0.000  0.819  1.0
  Ga  Ga11  1  0.667  0.333  0.181  1.0
  Ga  Ga12  1  0.667  0.333  0.514  1.0
  Ga  Ga13  1  0.667  0.333  0.845  1.0
  Cu  Cu14  1  0.667  0.333  0.326  1.0
  Cu  Cu15  1  0.667  0.333  0.659  1.0
  Cu  Cu16  1  0.667  0.333  0.995  1.0
  Cu  Cu17  1  0.000  0.000  0.005  1.0
[/CIF]
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The structure described by Y3(CuGa2)2 crystallizes in the trigonal P3m1 space group. There are six 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(3), and three equivalent Ga(6) atoms. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to three equivalent Cu(2), three equivalent Ga(2), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the third Y site, Y(3) is bonded in a 12-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Ga(5), and three equivalent Ga(8) atoms. In the fourth Y site, Y(4) is bonded in a 12-coordinate geometry to three equivalent Cu(3), three equivalent Cu(4), three equivalent Ga(3), and three equivalent Ga(6) atoms. In the fifth Y site, Y(5) is bonded in a 12-coordinate geometry to three equivalent Cu(1), three equivalent Ga(1), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the sixth Y site, Y(6) is bonded in a 12-coordinate geometry to three equivalent Cu(2), three equivalent Ga(2), three equivalent Ga(5), and three equivalent Ga(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(5), one Ga(6), and three equivalent Ga(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(6), one Ga(7), and three equivalent Ga(2) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(4), and three equivalent Cu(4) atoms. In the fourth Cu site, Cu(4) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(4), and three equivalent Cu(3) atoms. There are eight 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(5), and three equivalent Cu(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(6), and three equivalent Cu(2) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Y(4), and three equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to three equivalent Y(2), three equivalent Y(5), and three equivalent Ga(7) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(6), and three equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Y(4), one Cu(1), and three equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to three equivalent Y(2), three equivalent Y(5), one Cu(2), and three equivalent Ga(4) atoms. In the eighth Ga site, Ga(8) is bonded in a 9-coordinate geometry to three equivalent Y(3), three equivalent Y(6), and three equivalent Ga(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(Ga2Cu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.290
_cell_length_b   4.290
_cell_length_c   22.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.374
_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
  Y  Y0  1  0.333  0.667  0.256  1.0
  Y  Y1  1  0.333  0.667  0.589  1.0
  Y  Y2  1  0.333  0.667  0.922  1.0
  Y  Y3  1  0.333  0.667  0.079  1.0
  Y  Y4  1  0.333  0.667  0.413  1.0
  Y  Y5  1  0.333  0.667  0.745  1.0
  Ga  Ga6  1  0.000  0.000  0.338  1.0
  Ga  Ga7  1  0.000  0.000  0.671  1.0
  Ga  Ga8  1  0.000  0.000  0.155  1.0
  Ga  Ga9  1  0.000  0.000  0.487  1.0
  Ga  Ga10  1  0.000  0.000  0.819  1.0
  Ga  Ga11  1  0.667  0.333  0.181  1.0
  Ga  Ga12  1  0.667  0.333  0.514  1.0
  Ga  Ga13  1  0.667  0.333  0.845  1.0
  Cu  Cu14  1  0.667  0.333  0.326  1.0
  Cu  Cu15  1  0.667  0.333  0.659  1.0
  Cu  Cu16  1  0.667  0.333  0.995  1.0
  Cu  Cu17  1  0.000  0.000  0.005  1.0
[/CIF]
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