The material described by LiVGaO4 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent Ga(1) atoms to form distorted OLiVGa2 trigonal pyramids that share corners with six equivalent O(2)LiV2Ga trigonal pyramids, corners with six equivalent O(1)LiVGa2 trigonal pyramids,  an edgeedge with one O(1)LiVGa2 trigonal pyramid, and edges with two equivalent O(2)LiV2Ga trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Ga(1) atom to form distorted OLiV2Ga trigonal pyramids that share corners with six equivalent O(2)LiV2Ga trigonal pyramids, corners with six equivalent O(1)LiVGa2 trigonal pyramids,  an edgeedge with one O(2)LiV2Ga trigonal pyramid, and edges with two equivalent O(1)LiVGa2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   5.897
_cell_length_c   5.963
_cell_angle_alpha   119.151
_cell_angle_beta   119.073
_cell_angle_gamma   90.844
_symmetry_Int_Tables_number   1
_cell_volume   149.100
_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
  Ga  Ga0  1  0.000  0.500  0.500  1.0
  Ga  Ga1  1  1.000  1.000  0.500  1.0
  Li  Li2  1  0.384  0.134  0.268  1.0
  Li  Li3  1  0.616  0.866  0.732  1.0
  O  O4  1  0.757  0.724  0.465  1.0
  O  O5  1  0.793  0.259  0.535  1.0
  O  O6  1  0.207  0.741  0.465  1.0
  O  O7  1  0.243  0.276  0.535  1.0
  O  O8  1  0.252  0.272  0.987  1.0
  O  O9  1  0.236  0.715  0.988  1.0
  O  O10  1  0.764  0.285  0.012  1.0
  O  O11  1  0.748  0.728  0.013  1.0
  V  V12  1  0.500  0.500  1.000  1.0
  V  V13  1  1.000  0.500  1.000  1.0
[/CIF]
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The material described by LiVGaO4 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ga(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent Ga(1) atoms to form distorted OLiVGa2 trigonal pyramids that share corners with six equivalent O(2)LiV2Ga trigonal pyramids, corners with six equivalent O(1)LiVGa2 trigonal pyramids,  an edgeedge with one O(1)LiVGa2 trigonal pyramid, and edges with two equivalent O(2)LiV2Ga trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Ga(1) atom to form distorted OLiV2Ga trigonal pyramids that share corners with six equivalent O(2)LiV2Ga trigonal pyramids, corners with six equivalent O(1)LiVGa2 trigonal pyramids,  an edgeedge with one O(2)LiV2Ga trigonal pyramid, and edges with two equivalent O(1)LiVGa2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   5.897
_cell_length_c   5.963
_cell_angle_alpha   119.151
_cell_angle_beta   119.073
_cell_angle_gamma   90.844
_symmetry_Int_Tables_number   1
_cell_volume   149.100
_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
  Ga  Ga0  1  0.000  0.500  0.500  1.0
  Ga  Ga1  1  1.000  1.000  0.500  1.0
  Li  Li2  1  0.384  0.134  0.268  1.0
  Li  Li3  1  0.616  0.866  0.732  1.0
  O  O4  1  0.757  0.724  0.465  1.0
  O  O5  1  0.793  0.259  0.535  1.0
  O  O6  1  0.207  0.741  0.465  1.0
  O  O7  1  0.243  0.276  0.535  1.0
  O  O8  1  0.252  0.272  0.987  1.0
  O  O9  1  0.236  0.715  0.988  1.0
  O  O10  1  0.764  0.285  0.012  1.0
  O  O11  1  0.748  0.728  0.013  1.0
  V  V12  1  0.500  0.500  1.000  1.0
  V  V13  1  1.000  0.500  1.000  1.0
[/CIF]
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