The crystal structure described by ErRuGa3 crystallizes in the cubic Pm-3m space group. Er(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 Er(1) and eight equivalent Ga(2) atoms to form distorted RuEr4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Er4Ga8 cuboctahedra, edges with four equivalent Ga(1)Er6 octahedra, and faces with eight equivalent Ru(1)Er4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Er(1) atoms to form GaEr6 octahedra that share corners with six equivalent Ga(1)Er6 octahedra and edges with twelve equivalent Ru(1)Er4Ga8 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 Er(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_ErGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.616
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Er  Er1  1  0.500  0.000  0.500  1.0
  Er  Er2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.211  0.211  0.789  1.0
  Ga  Ga5  1  0.211  0.789  0.211  1.0
  Ga  Ga6  1  0.789  0.211  0.211  1.0
  Ga  Ga7  1  0.789  0.789  0.789  1.0
  Ga  Ga8  1  0.789  0.789  0.211  1.0
  Ga  Ga9  1  0.789  0.211  0.789  1.0
  Ga  Ga10  1  0.211  0.789  0.789  1.0
  Ga  Ga11  1  0.211  0.211  0.211  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 ErRuGa3 crystallizes in the cubic Pm-3m space group. Er(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 Er(1) and eight equivalent Ga(2) atoms to form distorted RuEr4Ga8 cuboctahedra that share corners with four equivalent Ru(1)Er4Ga8 cuboctahedra, edges with four equivalent Ga(1)Er6 octahedra, and faces with eight equivalent Ru(1)Er4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Er(1) atoms to form GaEr6 octahedra that share corners with six equivalent Ga(1)Er6 octahedra and edges with twelve equivalent Ru(1)Er4Ga8 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 Er(1), three equivalent Ru(1), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_ErGa3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.616
_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
  Er  Er0  1  0.500  0.500  0.000  1.0
  Er  Er1  1  0.500  0.000  0.500  1.0
  Er  Er2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Ga  Ga4  1  0.211  0.211  0.789  1.0
  Ga  Ga5  1  0.211  0.789  0.211  1.0
  Ga  Ga6  1  0.789  0.211  0.211  1.0
  Ga  Ga7  1  0.789  0.789  0.789  1.0
  Ga  Ga8  1  0.789  0.789  0.211  1.0
  Ga  Ga9  1  0.789  0.211  0.789  1.0
  Ga  Ga10  1  0.211  0.789  0.789  1.0
  Ga  Ga11  1  0.211  0.211  0.211  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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