The crystal structure described by LiGa5O8 is Spinel-like structured and crystallizes in the orthorhombic Pmna space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Ga(2)O6 octahedra, and edges with four equivalent Ga(3)O6 octahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ga(2)O6 octahedra, and corners with six equivalent Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Ga site, Ga(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ga(3)O6 octahedra. In the third Ga site, Ga(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ga(2)O6 octahedra, and edges with two equivalent Ga(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ga(1), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_LiGa5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.868
_cell_length_c   8.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.491
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Ga  Ga2  1  0.757  0.000  0.884  1.0
  Ga  Ga3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.270  0.750  0.750  1.0
  Ga  Ga5  1  0.730  0.250  0.250  1.0
  Ga  Ga6  1  0.243  0.000  0.116  1.0
  Ga  Ga7  1  0.757  0.500  0.616  1.0
  Ga  Ga8  1  0.730  0.750  0.250  1.0
  Ga  Ga9  1  0.270  0.250  0.750  1.0
  Ga  Ga10  1  0.000  0.500  0.000  1.0
  Ga  Ga11  1  0.243  0.500  0.384  1.0
  O  O12  1  0.981  0.000  0.257  1.0
  O  O13  1  0.241  0.738  0.988  1.0
  O  O14  1  0.491  0.500  0.746  1.0
  O  O15  1  0.759  0.238  0.488  1.0
  O  O16  1  0.509  0.500  0.254  1.0
  O  O17  1  0.241  0.762  0.512  1.0
  O  O18  1  0.019  0.000  0.743  1.0
  O  O19  1  0.759  0.262  0.012  1.0
  O  O20  1  0.241  0.238  0.512  1.0
  O  O21  1  0.981  0.500  0.243  1.0
  O  O22  1  0.759  0.738  0.012  1.0
  O  O23  1  0.491  0.000  0.754  1.0
  O  O24  1  0.241  0.262  0.988  1.0
  O  O25  1  0.509  0.000  0.246  1.0
  O  O26  1  0.759  0.762  0.488  1.0
  O  O27  1  0.019  0.500  0.757  1.0
[/CIF]
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The crystal structure described by LiGa5O8 is Spinel-like structured and crystallizes in the orthorhombic Pmna space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Ga(2)O6 octahedra, and edges with four equivalent Ga(3)O6 octahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ga(2)O6 octahedra, and corners with six equivalent Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Ga site, Ga(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ga(3)O6 octahedra. In the third Ga site, Ga(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ga(2)O6 octahedra, and edges with two equivalent Ga(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ga(1), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_LiGa5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.868
_cell_length_c   8.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.491
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Ga  Ga2  1  0.757  0.000  0.884  1.0
  Ga  Ga3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.270  0.750  0.750  1.0
  Ga  Ga5  1  0.730  0.250  0.250  1.0
  Ga  Ga6  1  0.243  0.000  0.116  1.0
  Ga  Ga7  1  0.757  0.500  0.616  1.0
  Ga  Ga8  1  0.730  0.750  0.250  1.0
  Ga  Ga9  1  0.270  0.250  0.750  1.0
  Ga  Ga10  1  0.000  0.500  0.000  1.0
  Ga  Ga11  1  0.243  0.500  0.384  1.0
  O  O12  1  0.981  0.000  0.257  1.0
  O  O13  1  0.241  0.738  0.988  1.0
  O  O14  1  0.491  0.500  0.746  1.0
  O  O15  1  0.759  0.238  0.488  1.0
  O  O16  1  0.509  0.500  0.254  1.0
  O  O17  1  0.241  0.762  0.512  1.0
  O  O18  1  0.019  0.000  0.743  1.0
  O  O19  1  0.759  0.262  0.012  1.0
  O  O20  1  0.241  0.238  0.512  1.0
  O  O21  1  0.981  0.500  0.243  1.0
  O  O22  1  0.759  0.738  0.012  1.0
  O  O23  1  0.491  0.000  0.754  1.0
  O  O24  1  0.241  0.262  0.988  1.0
  O  O25  1  0.509  0.000  0.246  1.0
  O  O26  1  0.759  0.762  0.488  1.0
  O  O27  1  0.019  0.500  0.757  1.0
[/CIF]
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