The structure described by Li2Ti2VO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra and edges with three equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share edges with six equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2Ti2V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.193
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.293
_symmetry_Int_Tables_number   1
_cell_volume   241.722
_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  0.838  0.500  0.750  1.0
  Li  Li1  1  0.662  0.500  0.250  1.0
  Li  Li2  1  0.338  0.500  0.750  1.0
  Li  Li3  1  0.162  0.500  0.250  1.0
  O  O4  1  0.854  0.000  0.601  1.0
  O  O5  1  0.646  1.000  0.101  1.0
  O  O6  1  0.354  0.000  0.899  1.0
  O  O7  1  0.146  0.000  0.399  1.0
  O  O8  1  0.996  0.364  0.107  1.0
  O  O9  1  0.004  0.636  0.893  1.0
  O  O10  1  0.859  0.636  0.393  1.0
  O  O11  1  0.504  0.636  0.607  1.0
  O  O12  1  0.641  0.364  0.893  1.0
  O  O13  1  0.496  0.364  0.393  1.0
  O  O14  1  0.141  0.364  0.607  1.0
  O  O15  1  0.359  0.636  0.107  1.0
  Ti  Ti16  1  0.839  0.321  0.500  1.0
  Ti  Ti17  1  0.661  0.679  1.000  1.0
  Ti  Ti18  1  0.339  0.321  1.000  1.0
  Ti  Ti19  1  0.161  0.679  0.500  1.0
  V  V20  1  0.000  1.000  1.000  1.0
  V  V21  1  0.500  1.000  0.500  1.0
[/CIF]
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The structure described by Li2Ti2VO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra and edges with three equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share edges with six equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2Ti2V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.193
_cell_length_c   10.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.293
_symmetry_Int_Tables_number   1
_cell_volume   241.722
_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  0.838  0.500  0.750  1.0
  Li  Li1  1  0.662  0.500  0.250  1.0
  Li  Li2  1  0.338  0.500  0.750  1.0
  Li  Li3  1  0.162  0.500  0.250  1.0
  O  O4  1  0.854  0.000  0.601  1.0
  O  O5  1  0.646  1.000  0.101  1.0
  O  O6  1  0.354  0.000  0.899  1.0
  O  O7  1  0.146  0.000  0.399  1.0
  O  O8  1  0.996  0.364  0.107  1.0
  O  O9  1  0.004  0.636  0.893  1.0
  O  O10  1  0.859  0.636  0.393  1.0
  O  O11  1  0.504  0.636  0.607  1.0
  O  O12  1  0.641  0.364  0.893  1.0
  O  O13  1  0.496  0.364  0.393  1.0
  O  O14  1  0.141  0.364  0.607  1.0
  O  O15  1  0.359  0.636  0.107  1.0
  Ti  Ti16  1  0.839  0.321  0.500  1.0
  Ti  Ti17  1  0.661  0.679  1.000  1.0
  Ti  Ti18  1  0.339  0.321  1.000  1.0
  Ti  Ti19  1  0.161  0.679  0.500  1.0
  V  V20  1  0.000  1.000  1.000  1.0
  V  V21  1  0.500  1.000  0.500  1.0
[/CIF]
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