The crystal structure described by La2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Au(2), one Ga(3), and two equivalent Ga(4) atoms. In the second Au site, Au(2) is bonded to four equivalent La(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuLa4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)La4Ga4Au4 cuboctahedra, faces with four equivalent Au(2)La4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)La4Au8 tetrahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent La(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent La(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted GaLa4Au8 tetrahedra that share corners with four equivalent Ga(4)La4Au8 tetrahedra, faces with four equivalent Au(2)La4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)La4Au8 tetrahedra. is represented by the CIF card [CIF]
data_La2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   4.480
_cell_length_c   10.965
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.037
_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
  La  La0  1  0.500  0.000  0.257  1.0
  La  La1  1  0.000  0.500  0.743  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.500  0.000  0.872  1.0
  Ga  Ga5  1  0.000  0.500  0.128  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Au  Au7  1  0.500  0.000  0.644  1.0
  Au  Au8  1  0.000  0.500  0.356  1.0
  Au  Au9  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by La2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Au(2), one Ga(3), and two equivalent Ga(4) atoms. In the second Au site, Au(2) is bonded to four equivalent La(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuLa4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)La4Ga4Au4 cuboctahedra, faces with four equivalent Au(2)La4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)La4Au8 tetrahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent La(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent La(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted GaLa4Au8 tetrahedra that share corners with four equivalent Ga(4)La4Au8 tetrahedra, faces with four equivalent Au(2)La4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)La4Au8 tetrahedra. is represented by the CIF card [CIF]
data_La2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.480
_cell_length_b   4.480
_cell_length_c   10.965
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.037
_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
  La  La0  1  0.500  0.000  0.257  1.0
  La  La1  1  0.000  0.500  0.743  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.500  0.000  0.872  1.0
  Ga  Ga5  1  0.000  0.500  0.128  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Au  Au7  1  0.500  0.000  0.644  1.0
  Au  Au8  1  0.000  0.500  0.356  1.0
  Au  Au9  1  0.500  0.500  0.500  1.0
[/CIF]
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