The crystal structure described by Li2VAlO4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent V(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   6.479
_cell_length_c   5.551
_cell_angle_alpha   89.994
_cell_angle_beta   90.004
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   178.926
_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  0.494  0.002  0.824  1.0
  Li  Li1  1  0.995  0.502  0.176  1.0
  Li  Li2  1  0.494  0.255  0.341  1.0
  Li  Li3  1  0.994  0.755  0.659  1.0
  Al  Al4  1  0.002  0.253  0.668  1.0
  Al  Al5  1  0.502  0.753  0.332  1.0
  V  V6  1  0.495  0.508  0.835  1.0
  V  V7  1  0.994  0.008  0.165  1.0
  O  O8  1  0.899  0.026  0.827  1.0
  O  O9  1  0.399  0.526  0.172  1.0
  O  O10  1  0.900  0.245  0.361  1.0
  O  O11  1  0.400  0.744  0.640  1.0
  O  O12  1  0.361  0.261  0.682  1.0
  O  O13  1  0.861  0.761  0.318  1.0
  O  O14  1  0.888  0.481  0.818  1.0
  O  O15  1  0.388  0.981  0.182  1.0
[/CIF]
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The crystal structure described by Li2VAlO4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with four equivalent V(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one V(1), and one Al(1) atom to form corner-sharing OLi2AlV tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.975
_cell_length_b   6.479
_cell_length_c   5.551
_cell_angle_alpha   89.994
_cell_angle_beta   90.004
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   178.926
_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  0.494  0.002  0.824  1.0
  Li  Li1  1  0.995  0.502  0.176  1.0
  Li  Li2  1  0.494  0.255  0.341  1.0
  Li  Li3  1  0.994  0.755  0.659  1.0
  Al  Al4  1  0.002  0.253  0.668  1.0
  Al  Al5  1  0.502  0.753  0.332  1.0
  V  V6  1  0.495  0.508  0.835  1.0
  V  V7  1  0.994  0.008  0.165  1.0
  O  O8  1  0.899  0.026  0.827  1.0
  O  O9  1  0.399  0.526  0.172  1.0
  O  O10  1  0.900  0.245  0.361  1.0
  O  O11  1  0.400  0.744  0.640  1.0
  O  O12  1  0.361  0.261  0.682  1.0
  O  O13  1  0.861  0.761  0.318  1.0
  O  O14  1  0.888  0.481  0.818  1.0
  O  O15  1  0.388  0.981  0.182  1.0
[/CIF]
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