The crystal structure described by Li3LaGa8 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Ga(2), two equivalent Ga(4), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted LiGa12 cuboctahedra that share edges with four equivalent Li(1)Ga12 cuboctahedra, edges with four equivalent Li(2)Ga12 cuboctahedra, edges with four equivalent La(1)Ga12 cuboctahedra, faces with two equivalent Li(2)Ga12 cuboctahedra, faces with two equivalent La(1)Ga12 cuboctahedra, and faces with four equivalent Li(1)Ga12 cuboctahedra. In the second Li site, Li(2) is bonded to four equivalent Ga(3) and eight equivalent Ga(2) atoms to form a mixture of face and edge-sharing LiGa12 cuboctahedra. La(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(4) atoms to form LaGa12 cuboctahedra that share edges with four equivalent La(1)Ga12 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with four equivalent La(1)Ga12 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Li(1), two equivalent La(1), one Ga(3), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), four equivalent Li(2), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), four equivalent Li(1), one Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Li(1), four equivalent La(1), one Ga(4), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Li3LaGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.627
_cell_length_b   4.448
_cell_length_c   15.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.133
_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
  Li  Li0  1  0.000  0.500  0.243  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.757  1.0
  La  La3  1  0.000  1.000  0.000  1.0
  Ga  Ga4  1  0.500  1.000  0.176  1.0
  Ga  Ga5  1  0.500  0.500  0.419  1.0
  Ga  Ga6  1  0.500  1.000  0.661  1.0
  Ga  Ga7  1  0.500  0.500  0.911  1.0
  Ga  Ga8  1  0.500  0.500  0.089  1.0
  Ga  Ga9  1  0.500  1.000  0.339  1.0
  Ga  Ga10  1  0.500  0.500  0.581  1.0
  Ga  Ga11  1  0.500  1.000  0.824  1.0
[/CIF]
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The crystal structure described by Li3LaGa8 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Ga(2), two equivalent Ga(4), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted LiGa12 cuboctahedra that share edges with four equivalent Li(1)Ga12 cuboctahedra, edges with four equivalent Li(2)Ga12 cuboctahedra, edges with four equivalent La(1)Ga12 cuboctahedra, faces with two equivalent Li(2)Ga12 cuboctahedra, faces with two equivalent La(1)Ga12 cuboctahedra, and faces with four equivalent Li(1)Ga12 cuboctahedra. In the second Li site, Li(2) is bonded to four equivalent Ga(3) and eight equivalent Ga(2) atoms to form a mixture of face and edge-sharing LiGa12 cuboctahedra. La(1) is bonded to four equivalent Ga(1) and eight equivalent Ga(4) atoms to form LaGa12 cuboctahedra that share edges with four equivalent La(1)Ga12 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with four equivalent La(1)Ga12 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Li(1), two equivalent La(1), one Ga(3), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), four equivalent Li(2), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Li(2), four equivalent Li(1), one Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Li(1), four equivalent La(1), one Ga(4), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Li3LaGa8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.627
_cell_length_b   4.448
_cell_length_c   15.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.133
_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
  Li  Li0  1  0.000  0.500  0.243  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.757  1.0
  La  La3  1  0.000  1.000  0.000  1.0
  Ga  Ga4  1  0.500  1.000  0.176  1.0
  Ga  Ga5  1  0.500  0.500  0.419  1.0
  Ga  Ga6  1  0.500  1.000  0.661  1.0
  Ga  Ga7  1  0.500  0.500  0.911  1.0
  Ga  Ga8  1  0.500  0.500  0.089  1.0
  Ga  Ga9  1  0.500  1.000  0.339  1.0
  Ga  Ga10  1  0.500  0.500  0.581  1.0
  Ga  Ga11  1  0.500  1.000  0.824  1.0
[/CIF]
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