The material structure described by Lu3Cu3Ga8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form LuGa12 cuboctahedra that share edges with two equivalent Cu(1)Lu4Ga4Cu4 cuboctahedra and faces with two equivalent Lu(1)Ga12 cuboctahedra. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Lu(2), four equivalent Cu(2), and four equivalent Ga(1) atoms to form distorted CuLu4Ga4Cu4 cuboctahedra that share edges with two equivalent Lu(1)Ga12 cuboctahedra and faces with two equivalent Cu(1)Lu4Ga4Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Cu(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Lu(2), one Cu(1), two equivalent Cu(2), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Cu(2), one Ga(2), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Lu3Ga8Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.224
_cell_length_b   8.006
_cell_length_c   8.006
_cell_angle_alpha   72.716
_cell_angle_beta   74.703
_cell_angle_gamma   74.703
_symmetry_Int_Tables_number   1
_cell_volume   244.249
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.309  0.691  0.691  1.0
  Lu  Lu2  1  0.691  0.309  0.309  1.0
  Ga  Ga3  1  0.131  0.580  0.157  1.0
  Ga  Ga4  1  0.869  0.420  0.843  1.0
  Ga  Ga5  1  0.131  0.157  0.580  1.0
  Ga  Ga6  1  0.869  0.843  0.420  1.0
  Ga  Ga7  1  0.343  0.289  0.025  1.0
  Ga  Ga8  1  0.657  0.711  0.975  1.0
  Ga  Ga9  1  0.343  0.025  0.289  1.0
  Ga  Ga10  1  0.657  0.975  0.711  1.0
  Cu  Cu11  1  0.000  0.500  0.500  1.0
  Cu  Cu12  1  0.500  0.303  0.697  1.0
  Cu  Cu13  1  0.500  0.697  0.303  1.0
[/CIF]
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The material structure described by Lu3Cu3Ga8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(2) atoms to form LuGa12 cuboctahedra that share edges with two equivalent Cu(1)Lu4Ga4Cu4 cuboctahedra and faces with two equivalent Lu(1)Ga12 cuboctahedra. In the second Lu site, Lu(2) is bonded in a 12-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Lu(2), four equivalent Cu(2), and four equivalent Ga(1) atoms to form distorted CuLu4Ga4Cu4 cuboctahedra that share edges with two equivalent Lu(1)Ga12 cuboctahedra and faces with two equivalent Cu(1)Lu4Ga4Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Cu(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Lu(2), one Cu(1), two equivalent Cu(2), and three equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Cu(2), one Ga(2), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Lu3Ga8Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.224
_cell_length_b   8.006
_cell_length_c   8.006
_cell_angle_alpha   72.716
_cell_angle_beta   74.703
_cell_angle_gamma   74.703
_symmetry_Int_Tables_number   1
_cell_volume   244.249
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.309  0.691  0.691  1.0
  Lu  Lu2  1  0.691  0.309  0.309  1.0
  Ga  Ga3  1  0.131  0.580  0.157  1.0
  Ga  Ga4  1  0.869  0.420  0.843  1.0
  Ga  Ga5  1  0.131  0.157  0.580  1.0
  Ga  Ga6  1  0.869  0.843  0.420  1.0
  Ga  Ga7  1  0.343  0.289  0.025  1.0
  Ga  Ga8  1  0.657  0.711  0.975  1.0
  Ga  Ga9  1  0.343  0.025  0.289  1.0
  Ga  Ga10  1  0.657  0.975  0.711  1.0
  Cu  Cu11  1  0.000  0.500  0.500  1.0
  Cu  Cu12  1  0.500  0.303  0.697  1.0
  Cu  Cu13  1  0.500  0.697  0.303  1.0
[/CIF]
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