The material structure described by Li4TiV3O10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one V(2) atom to form OLi2V2 tetrahedra that share corners with two equivalent O(3)Li2TiV tetrahedra, corners with six equivalent O(2)Li2V2 tetrahedra, and edges with two equivalent O(3)Li2TiV tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form OLi2TiV tetrahedra that share corners with two equivalent O(2)Li2V2 tetrahedra, corners with six equivalent O(3)Li2TiV tetrahedra, and edges with two equivalent O(2)Li2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   6.717
_cell_length_c   6.717
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.522
_cell_formula_units_Z   1
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  0.001  0.999  1.0
  Li  Li1  1  0.000  0.499  0.999  1.0
  Li  Li2  1  0.000  0.499  0.501  1.0
  Li  Li3  1  0.000  0.001  0.501  1.0
  O  O4  1  0.765  0.750  0.750  1.0
  O  O5  1  0.235  0.250  0.250  1.0
  O  O6  1  0.732  0.250  0.969  1.0
  O  O7  1  0.268  0.469  0.750  1.0
  O  O8  1  0.268  0.031  0.750  1.0
  O  O9  1  0.732  0.250  0.531  1.0
  O  O10  1  0.264  0.750  0.470  1.0
  O  O11  1  0.736  0.970  0.250  1.0
  O  O12  1  0.736  0.530  0.250  1.0
  O  O13  1  0.264  0.750  0.030  1.0
  Ti  Ti14  1  0.500  0.750  0.250  1.0
  V  V15  1  0.398  0.750  0.750  1.0
  V  V16  1  0.602  0.250  0.250  1.0
  V  V17  1  0.500  0.250  0.750  1.0
[/CIF]
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The material structure described by Li4TiV3O10 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one V(2) atom to form OLi2V2 tetrahedra that share corners with two equivalent O(3)Li2TiV tetrahedra, corners with six equivalent O(2)Li2V2 tetrahedra, and edges with two equivalent O(3)Li2TiV tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and one V(1) atom to form OLi2TiV tetrahedra that share corners with two equivalent O(2)Li2V2 tetrahedra, corners with six equivalent O(3)Li2TiV tetrahedra, and edges with two equivalent O(2)Li2V2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   6.717
_cell_length_c   6.717
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.522
_cell_formula_units_Z   1
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  0.001  0.999  1.0
  Li  Li1  1  0.000  0.499  0.999  1.0
  Li  Li2  1  0.000  0.499  0.501  1.0
  Li  Li3  1  0.000  0.001  0.501  1.0
  O  O4  1  0.765  0.750  0.750  1.0
  O  O5  1  0.235  0.250  0.250  1.0
  O  O6  1  0.732  0.250  0.969  1.0
  O  O7  1  0.268  0.469  0.750  1.0
  O  O8  1  0.268  0.031  0.750  1.0
  O  O9  1  0.732  0.250  0.531  1.0
  O  O10  1  0.264  0.750  0.470  1.0
  O  O11  1  0.736  0.970  0.250  1.0
  O  O12  1  0.736  0.530  0.250  1.0
  O  O13  1  0.264  0.750  0.030  1.0
  Ti  Ti14  1  0.500  0.750  0.250  1.0
  V  V15  1  0.398  0.750  0.750  1.0
  V  V16  1  0.602  0.250  0.250  1.0
  V  V17  1  0.500  0.250  0.750  1.0
[/CIF]
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