The crystal structure described by YRuGa3 crystallizes in the cubic Pm-3m space group. Y(1) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent Ga(1), and eight equivalent Ga(2) atoms. Ru(1) is bonded to four equivalent Y(1) and eight equivalent Ga(2) atoms to form distorted RuY4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Y4Ga8 cuboctahedra, edges with four equivalent Ga(1)Y6 octahedra, and faces with eight equivalent Ru(1)Y4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Y(1) atoms to form GaY6 octahedra that share corners with six equivalent Ga(1)Y6 octahedra and edges with twelve equivalent Ru(1)Y4Ga8 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_YGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   6.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.825
_cell_formula_units_Z   3
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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.208  0.208  0.792  1.0
  Ga  Ga5  1  0.208  0.792  0.208  1.0
  Ga  Ga6  1  0.792  0.208  0.208  1.0
  Ga  Ga7  1  0.792  0.792  0.792  1.0
  Ga  Ga8  1  0.792  0.792  0.208  1.0
  Ga  Ga9  1  0.792  0.208  0.792  1.0
  Ga  Ga10  1  0.208  0.792  0.792  1.0
  Ga  Ga11  1  0.208  0.208  0.208  1.0
  Ru  Ru12  1  0.000  0.000  0.500  1.0
  Ru  Ru13  1  0.000  0.500  0.000  1.0
  Ru  Ru14  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by YRuGa3 crystallizes in the cubic Pm-3m space group. Y(1) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent Ga(1), and eight equivalent Ga(2) atoms. Ru(1) is bonded to four equivalent Y(1) and eight equivalent Ga(2) atoms to form distorted RuY4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Y4Ga8 cuboctahedra, edges with four equivalent Ga(1)Y6 octahedra, and faces with eight equivalent Ru(1)Y4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Y(1) atoms to form GaY6 octahedra that share corners with six equivalent Ga(1)Y6 octahedra and edges with twelve equivalent Ru(1)Y4Ga8 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_YGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.389
_cell_length_c   6.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.825
_cell_formula_units_Z   3
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  0.500  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.208  0.208  0.792  1.0
  Ga  Ga5  1  0.208  0.792  0.208  1.0
  Ga  Ga6  1  0.792  0.208  0.208  1.0
  Ga  Ga7  1  0.792  0.792  0.792  1.0
  Ga  Ga8  1  0.792  0.792  0.208  1.0
  Ga  Ga9  1  0.792  0.208  0.792  1.0
  Ga  Ga10  1  0.208  0.792  0.792  1.0
  Ga  Ga11  1  0.208  0.208  0.208  1.0
  Ru  Ru12  1  0.000  0.000  0.500  1.0
  Ru  Ru13  1  0.000  0.500  0.000  1.0
  Ru  Ru14  1  0.500  0.000  0.000  1.0
[/CIF]
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