The material described by LiVAlO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) 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 Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OLiAl2V tetrahedra. In the second O site, O(2) is bonded to one Li(1), one V(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OLiAl2V tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.754
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   119.090
_cell_angle_beta   119.573
_cell_angle_gamma   60.441
_symmetry_Int_Tables_number   1
_cell_volume   140.190
_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  0.132  0.122  0.385  1.0
  Li  Li1  1  0.868  0.878  0.615  1.0
  Al  Al2  1  1.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.732  0.296  0.761  1.0
  O  O7  1  0.260  0.279  0.798  1.0
  O  O8  1  0.740  0.721  0.202  1.0
  O  O9  1  0.268  0.704  0.239  1.0
  O  O10  1  0.714  0.260  0.232  1.0
  O  O11  1  0.259  0.260  0.232  1.0
  O  O12  1  0.741  0.740  0.768  1.0
  O  O13  1  0.287  0.740  0.768  1.0
[/CIF]
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The material described by LiVAlO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Al(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(3) 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 Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(2), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OLiAl2V tetrahedra. In the second O site, O(2) is bonded to one Li(1), one V(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing OLiAl2V tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Al(1) atom. is represented by the CIF file [CIF]
data_LiAlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.754
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   119.090
_cell_angle_beta   119.573
_cell_angle_gamma   60.441
_symmetry_Int_Tables_number   1
_cell_volume   140.190
_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  0.132  0.122  0.385  1.0
  Li  Li1  1  0.868  0.878  0.615  1.0
  Al  Al2  1  1.000  0.500  0.000  1.0
  Al  Al3  1  0.500  0.500  1.000  1.0
  V  V4  1  0.500  0.000  0.000  1.0
  V  V5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.732  0.296  0.761  1.0
  O  O7  1  0.260  0.279  0.798  1.0
  O  O8  1  0.740  0.721  0.202  1.0
  O  O9  1  0.268  0.704  0.239  1.0
  O  O10  1  0.714  0.260  0.232  1.0
  O  O11  1  0.259  0.260  0.232  1.0
  O  O12  1  0.741  0.740  0.768  1.0
  O  O13  1  0.287  0.740  0.768  1.0
[/CIF]
.