The structure described by Li2TiVO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2TiV tetrahedra. is represented by the CIF file [CIF]
data_Li2TiVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   6.714
_cell_length_c   6.714
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.794
_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  0.000  1.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  1.000  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.242  0.750  0.250  1.0
  O  O5  1  0.758  0.250  0.750  1.0
  O  O6  1  0.263  0.250  0.031  1.0
  O  O7  1  0.737  0.469  0.250  1.0
  O  O8  1  0.737  0.031  0.250  1.0
  O  O9  1  0.263  0.250  0.469  1.0
  O  O10  1  0.737  0.750  0.531  1.0
  O  O11  1  0.263  0.969  0.750  1.0
  O  O12  1  0.263  0.531  0.750  1.0
  O  O13  1  0.737  0.750  0.969  1.0
  Ti  Ti14  1  0.500  0.250  0.250  1.0
  Ti  Ti15  1  0.500  0.750  0.750  1.0
  V  V16  1  0.608  0.750  0.250  1.0
  V  V17  1  0.392  0.250  0.750  1.0
[/CIF]
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The structure described by Li2TiVO5 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2TiV tetrahedra. is represented by the CIF file [CIF]
data_Li2TiVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   6.714
_cell_length_c   6.714
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.794
_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  0.000  1.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  1.000  0.500  0.500  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.242  0.750  0.250  1.0
  O  O5  1  0.758  0.250  0.750  1.0
  O  O6  1  0.263  0.250  0.031  1.0
  O  O7  1  0.737  0.469  0.250  1.0
  O  O8  1  0.737  0.031  0.250  1.0
  O  O9  1  0.263  0.250  0.469  1.0
  O  O10  1  0.737  0.750  0.531  1.0
  O  O11  1  0.263  0.969  0.750  1.0
  O  O12  1  0.263  0.531  0.750  1.0
  O  O13  1  0.737  0.750  0.969  1.0
  Ti  Ti14  1  0.500  0.250  0.250  1.0
  Ti  Ti15  1  0.500  0.750  0.750  1.0
  V  V16  1  0.608  0.750  0.250  1.0
  V  V17  1  0.392  0.250  0.750  1.0
[/CIF]
.