The material structure described by DyRuGa3 crystallizes in the cubic Pm-3m space group. Dy(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 Dy(1) and eight equivalent Ga(2) atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Dy4Ga8 cuboctahedra, edges with four equivalent Ga(1)Dy6 octahedra, and faces with eight equivalent Ru(1)Dy4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Dy(1) atoms to form GaDy6 octahedra that share corners with six equivalent Ga(1)Dy6 octahedra and edges with twelve equivalent Ru(1)Dy4Ga8 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 Dy(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   6.377
_cell_length_c   6.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.350
_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
  Dy  Dy0  1  0.500  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Dy  Dy2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.209  0.209  0.791  1.0
  Ga  Ga5  1  0.209  0.791  0.209  1.0
  Ga  Ga6  1  0.791  0.209  0.209  1.0
  Ga  Ga7  1  0.791  0.791  0.791  1.0
  Ga  Ga8  1  0.791  0.791  0.209  1.0
  Ga  Ga9  1  0.791  0.209  0.791  1.0
  Ga  Ga10  1  0.209  0.791  0.791  1.0
  Ga  Ga11  1  0.209  0.209  0.209  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 material structure described by DyRuGa3 crystallizes in the cubic Pm-3m space group. Dy(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 Dy(1) and eight equivalent Ga(2) atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Dy4Ga8 cuboctahedra, edges with four equivalent Ga(1)Dy6 octahedra, and faces with eight equivalent Ru(1)Dy4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Dy(1) atoms to form GaDy6 octahedra that share corners with six equivalent Ga(1)Dy6 octahedra and edges with twelve equivalent Ru(1)Dy4Ga8 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 Dy(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   6.377
_cell_length_c   6.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.350
_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
  Dy  Dy0  1  0.500  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Dy  Dy2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.209  0.209  0.791  1.0
  Ga  Ga5  1  0.209  0.791  0.209  1.0
  Ga  Ga6  1  0.791  0.209  0.209  1.0
  Ga  Ga7  1  0.791  0.791  0.791  1.0
  Ga  Ga8  1  0.791  0.791  0.209  1.0
  Ga  Ga9  1  0.791  0.209  0.791  1.0
  Ga  Ga10  1  0.209  0.791  0.791  1.0
  Ga  Ga11  1  0.209  0.209  0.209  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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