The compound described by Lu2CuGa3 crystallizes in the trigonal P3m1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu(1), three equivalent Lu(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 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), three equivalent Cu(1), and one Ga(2) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), one Ga(1), and three equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), one Cu(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Lu2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.282
_cell_length_b   4.282
_cell_length_c   6.980
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.834
_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
  Lu  Lu0  1  0.667  0.333  0.730  1.0
  Lu  Lu1  1  0.667  0.333  0.262  1.0
  Ga  Ga2  1  0.000  0.000  0.476  1.0
  Ga  Ga3  1  0.000  0.000  0.047  1.0
  Ga  Ga4  1  0.333  0.667  0.947  1.0
  Cu  Cu5  1  0.333  0.667  0.539  1.0
[/CIF]
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The compound described by Lu2CuGa3 crystallizes in the trigonal P3m1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu(1), three equivalent Lu(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 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), three equivalent Cu(1), and one Ga(2) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), one Ga(1), and three equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), one Cu(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Lu2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.282
_cell_length_b   4.282
_cell_length_c   6.980
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.834
_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
  Lu  Lu0  1  0.667  0.333  0.730  1.0
  Lu  Lu1  1  0.667  0.333  0.262  1.0
  Ga  Ga2  1  0.000  0.000  0.476  1.0
  Ga  Ga3  1  0.000  0.000  0.047  1.0
  Ga  Ga4  1  0.333  0.667  0.947  1.0
  Cu  Cu5  1  0.333  0.667  0.539  1.0
[/CIF]
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