The crystal structure described by Ce2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Ce(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 Ce(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 Ce(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuCe4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Ce4Ga8 cuboctahedra, corners with eight equivalent Ga(1)Ce4Ga8 cuboctahedra, edges with two equivalent Ga(2)Ce4Ga8 cuboctahedra, and faces with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ce(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaCe4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Ce4Ga8 cuboctahedra, corners with eight equivalent Au(2)Ce4Ga4Au4 cuboctahedra, faces with four equivalent Ga(1)Ce4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Ce4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ce(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GaCe4Ga8 cuboctahedra that share corners with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Ce4Ga8 cuboctahedra, edges with two equivalent Au(2)Ce4Ga4Au4 cuboctahedra, faces with four equivalent Ga(1)Ce4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Ce4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent Ce(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 12-coordinate geometry to four equivalent Ce(1), four equivalent Au(1), and four equivalent Au(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.351
_cell_length_b   4.351
_cell_length_c   10.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.062
_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
  Ce  Ce0  1  0.500  0.000  0.252  1.0
  Ce  Ce1  1  0.000  0.500  0.748  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  0.871  1.0
  Ga  Ga5  1  0.000  0.500  0.129  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Au  Au7  1  0.500  0.000  0.647  1.0
  Au  Au8  1  0.000  0.500  0.353  1.0
  Au  Au9  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Ce2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Ce(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 Ce(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 Ce(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuCe4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Ce4Ga8 cuboctahedra, corners with eight equivalent Ga(1)Ce4Ga8 cuboctahedra, edges with two equivalent Ga(2)Ce4Ga8 cuboctahedra, and faces with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ce(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaCe4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Ce4Ga8 cuboctahedra, corners with eight equivalent Au(2)Ce4Ga4Au4 cuboctahedra, faces with four equivalent Ga(1)Ce4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Ce4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Ce(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GaCe4Ga8 cuboctahedra that share corners with four equivalent Au(2)Ce4Ga4Au4 cuboctahedra, corners with four equivalent Ga(2)Ce4Ga8 cuboctahedra, edges with two equivalent Au(2)Ce4Ga4Au4 cuboctahedra, faces with four equivalent Ga(1)Ce4Ga8 cuboctahedra, and faces with four equivalent Ga(2)Ce4Ga8 cuboctahedra. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent Ce(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 12-coordinate geometry to four equivalent Ce(1), four equivalent Au(1), and four equivalent Au(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Ga5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.351
_cell_length_b   4.351
_cell_length_c   10.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.062
_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
  Ce  Ce0  1  0.500  0.000  0.252  1.0
  Ce  Ce1  1  0.000  0.500  0.748  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  0.871  1.0
  Ga  Ga5  1  0.000  0.500  0.129  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Au  Au7  1  0.500  0.000  0.647  1.0
  Au  Au8  1  0.000  0.500  0.353  1.0
  Au  Au9  1  0.000  0.000  0.500  1.0
[/CIF]
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