The material structure described by LiCoVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiVCo2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_LiVCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   5.959
_cell_angle_alpha   122.419
_cell_angle_beta   121.171
_cell_angle_gamma   86.922
_symmetry_Int_Tables_number   1
_cell_volume   145.330
_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  0.383  0.133  0.250  1.0
  Li  Li1  1  0.617  0.867  0.750  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.199  0.731  0.469  1.0
  O  O7  1  0.762  0.731  0.031  1.0
  O  O8  1  0.748  0.720  0.471  1.0
  O  O9  1  0.748  0.277  0.029  1.0
  O  O10  1  0.252  0.723  0.971  1.0
  O  O11  1  0.252  0.280  0.529  1.0
  O  O12  1  0.238  0.269  0.969  1.0
  O  O13  1  0.801  0.269  0.531  1.0
[/CIF]
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The material structure described by LiCoVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) 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 Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing OLiVCo2 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_LiVCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   5.959
_cell_angle_alpha   122.419
_cell_angle_beta   121.171
_cell_angle_gamma   86.922
_symmetry_Int_Tables_number   1
_cell_volume   145.330
_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  0.383  0.133  0.250  1.0
  Li  Li1  1  0.617  0.867  0.750  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.199  0.731  0.469  1.0
  O  O7  1  0.762  0.731  0.031  1.0
  O  O8  1  0.748  0.720  0.471  1.0
  O  O9  1  0.748  0.277  0.029  1.0
  O  O10  1  0.252  0.723  0.971  1.0
  O  O11  1  0.252  0.280  0.529  1.0
  O  O12  1  0.238  0.269  0.969  1.0
  O  O13  1  0.801  0.269  0.531  1.0
[/CIF]
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