The crystal structure described by La2AuGa7 crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(5) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ga(5), and four equivalent Ga(1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), two equivalent La(2), two equivalent Au(1), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent La(2), one Ga(4), and four equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent La(2), one Ga(3), and four equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a distorted single-bond geometry to four equivalent La(1), one Au(1), and four equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_La2Ga7Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   10.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.667
_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  0.000  0.000  0.996  1.0
  La  La1  1  0.500  0.500  0.492  1.0
  Ga  Ga2  1  0.000  0.500  0.250  1.0
  Ga  Ga3  1  0.500  0.000  0.749  1.0
  Ga  Ga4  1  0.500  0.000  0.250  1.0
  Ga  Ga5  1  0.000  0.500  0.749  1.0
  Ga  Ga6  1  0.000  0.000  0.620  1.0
  Ga  Ga7  1  0.000  0.000  0.383  1.0
  Ga  Ga8  1  0.500  0.500  0.885  1.0
  Au  Au9  1  0.500  0.500  0.125  1.0
[/CIF]
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The crystal structure described by La2AuGa7 crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to four equivalent Au(1), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(5) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to four equivalent Ga(1), four equivalent Ga(2), four equivalent Ga(3), and four equivalent Ga(4) atoms. Au(1) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ga(5), and four equivalent Ga(1) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), two equivalent La(2), two equivalent Au(1), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent La(2), one Ga(4), and four equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent La(2), one Ga(3), and four equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a distorted single-bond geometry to four equivalent La(1), one Au(1), and four equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_La2Ga7Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   10.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.667
_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  0.000  0.000  0.996  1.0
  La  La1  1  0.500  0.500  0.492  1.0
  Ga  Ga2  1  0.000  0.500  0.250  1.0
  Ga  Ga3  1  0.500  0.000  0.749  1.0
  Ga  Ga4  1  0.500  0.000  0.250  1.0
  Ga  Ga5  1  0.000  0.500  0.749  1.0
  Ga  Ga6  1  0.000  0.000  0.620  1.0
  Ga  Ga7  1  0.000  0.000  0.383  1.0
  Ga  Ga8  1  0.500  0.500  0.885  1.0
  Au  Au9  1  0.500  0.500  0.125  1.0
[/CIF]
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