The material structure described by LiGaSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ga(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ga(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ga(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiGa2Si trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ga(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGa(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.532
_cell_length_c   5.340
_cell_angle_alpha   74.638
_cell_angle_beta   74.638
_cell_angle_gamma   83.624
_symmetry_Int_Tables_number   1
_cell_volume   211.673
_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  0.742  0.258  0.750  1.0
  Li  Li1  1  0.258  0.742  0.250  1.0
  Ga  Ga2  1  0.101  0.899  0.750  1.0
  Ga  Ga3  1  0.899  0.101  0.250  1.0
  Si  Si4  1  0.613  0.794  0.762  1.0
  Si  Si5  1  0.387  0.206  0.238  1.0
  Si  Si6  1  0.794  0.613  0.262  1.0
  Si  Si7  1  0.206  0.387  0.738  1.0
  O  O8  1  0.356  0.355  0.949  1.0
  O  O9  1  0.355  0.356  0.449  1.0
  O  O10  1  0.644  0.645  0.051  1.0
  O  O11  1  0.645  0.644  0.551  1.0
  O  O12  1  0.970  0.802  0.144  1.0
  O  O13  1  0.627  0.108  0.171  1.0
  O  O14  1  0.030  0.198  0.856  1.0
  O  O15  1  0.802  0.970  0.644  1.0
  O  O16  1  0.198  0.030  0.356  1.0
  O  O17  1  0.373  0.892  0.829  1.0
  O  O18  1  0.108  0.627  0.671  1.0
  O  O19  1  0.892  0.373  0.329  1.0
[/CIF]
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The material structure described by LiGaSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ga(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ga(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ga(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiGa2Si trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ga(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiGa(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.532
_cell_length_c   5.340
_cell_angle_alpha   74.638
_cell_angle_beta   74.638
_cell_angle_gamma   83.624
_symmetry_Int_Tables_number   1
_cell_volume   211.673
_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  0.742  0.258  0.750  1.0
  Li  Li1  1  0.258  0.742  0.250  1.0
  Ga  Ga2  1  0.101  0.899  0.750  1.0
  Ga  Ga3  1  0.899  0.101  0.250  1.0
  Si  Si4  1  0.613  0.794  0.762  1.0
  Si  Si5  1  0.387  0.206  0.238  1.0
  Si  Si6  1  0.794  0.613  0.262  1.0
  Si  Si7  1  0.206  0.387  0.738  1.0
  O  O8  1  0.356  0.355  0.949  1.0
  O  O9  1  0.355  0.356  0.449  1.0
  O  O10  1  0.644  0.645  0.051  1.0
  O  O11  1  0.645  0.644  0.551  1.0
  O  O12  1  0.970  0.802  0.144  1.0
  O  O13  1  0.627  0.108  0.171  1.0
  O  O14  1  0.030  0.198  0.856  1.0
  O  O15  1  0.802  0.970  0.644  1.0
  O  O16  1  0.198  0.030  0.356  1.0
  O  O17  1  0.373  0.892  0.829  1.0
  O  O18  1  0.108  0.627  0.671  1.0
  O  O19  1  0.892  0.373  0.329  1.0
[/CIF]
.