The material structure described by LuYGa6 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form LuGa12 cuboctahedra that share corners with six equivalent Lu(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, edges with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with two equivalent Lu(1)Ga12 cuboctahedra, faces with six equivalent Y(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. Y(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form YGa12 cuboctahedra that share corners with twelve equivalent Y(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with six equivalent Lu(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Lu(1), two equivalent Y(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaY2Lu2Ga8 cuboctahedra that share corners with four equivalent Lu(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, edges with two equivalent Lu(1)Ga12 cuboctahedra, edges with four equivalent Y(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with two equivalent Lu(1)Ga12 cuboctahedra, faces with two equivalent Y(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1), two equivalent Y(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YLuGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   6.110
_cell_length_c   9.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   308.750
_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  0.750  1.0
  Y  Y1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.816  0.184  0.750  1.0
  Ga  Ga5  1  0.816  0.633  0.750  1.0
  Ga  Ga6  1  0.367  0.184  0.750  1.0
  Ga  Ga7  1  0.184  0.816  0.250  1.0
  Ga  Ga8  1  0.184  0.367  0.250  1.0
  Ga  Ga9  1  0.633  0.816  0.250  1.0
  Ga  Ga10  1  0.500  0.500  0.000  1.0
  Ga  Ga11  1  0.500  0.000  0.000  1.0
  Ga  Ga12  1  0.000  0.500  0.000  1.0
  Ga  Ga13  1  0.500  0.500  0.500  1.0
  Ga  Ga14  1  0.500  0.000  0.500  1.0
  Ga  Ga15  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by LuYGa6 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form LuGa12 cuboctahedra that share corners with six equivalent Lu(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, edges with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with two equivalent Lu(1)Ga12 cuboctahedra, faces with six equivalent Y(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. Y(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form YGa12 cuboctahedra that share corners with twelve equivalent Y(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with six equivalent Lu(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Lu(1), two equivalent Y(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaY2Lu2Ga8 cuboctahedra that share corners with four equivalent Lu(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, edges with two equivalent Lu(1)Ga12 cuboctahedra, edges with four equivalent Y(1)Ga12 cuboctahedra, edges with four equivalent Ga(2)Y2Lu2Ga8 cuboctahedra, faces with two equivalent Lu(1)Ga12 cuboctahedra, faces with two equivalent Y(1)Ga12 cuboctahedra, and faces with six equivalent Ga(2)Y2Lu2Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Lu(1), two equivalent Y(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YLuGa6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   6.110
_cell_length_c   9.551
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   308.750
_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  0.750  1.0
  Y  Y1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.816  0.184  0.750  1.0
  Ga  Ga5  1  0.816  0.633  0.750  1.0
  Ga  Ga6  1  0.367  0.184  0.750  1.0
  Ga  Ga7  1  0.184  0.816  0.250  1.0
  Ga  Ga8  1  0.184  0.367  0.250  1.0
  Ga  Ga9  1  0.633  0.816  0.250  1.0
  Ga  Ga10  1  0.500  0.500  0.000  1.0
  Ga  Ga11  1  0.500  0.000  0.000  1.0
  Ga  Ga12  1  0.000  0.500  0.000  1.0
  Ga  Ga13  1  0.500  0.500  0.500  1.0
  Ga  Ga14  1  0.500  0.000  0.500  1.0
  Ga  Ga15  1  0.000  0.500  0.500  1.0
[/CIF]
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