The structure described by LiCoVO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Co(1) atom to form distorted OLi2VCo trigonal pyramids that share corners with six equivalent O(1)Li2VCo trigonal pyramids, corners with six equivalent O(2)LiV2Co trigonal pyramids,  an edgeedge with one O(1)Li2VCo trigonal pyramid, and edges with two equivalent O(2)LiV2Co trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Co(1) atom to form distorted OLiV2Co trigonal pyramids that share corners with six equivalent O(1)Li2VCo trigonal pyramids, corners with six equivalent O(2)LiV2Co trigonal pyramids,  an edgeedge with one O(2)LiV2Co trigonal pyramid, and edges with two equivalent O(1)Li2VCo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   8.238
_cell_length_c   5.976
_cell_angle_alpha   89.999
_cell_angle_beta   90.008
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   294.098
_cell_formula_units_Z   4
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  0.244  1.000  0.000  1.0
  Li  Li1  1  0.756  0.500  0.000  1.0
  Li  Li2  1  0.000  0.250  0.244  1.0
  Li  Li3  1  0.000  0.750  0.756  1.0
  V  V4  1  0.780  0.500  0.500  1.0
  V  V5  1  0.500  0.750  0.780  1.0
  V  V6  1  0.500  0.250  0.220  1.0
  V  V7  1  0.220  1.000  0.500  1.0
  Co  Co8  1  0.258  0.625  0.258  1.0
  Co  Co9  1  0.259  0.375  0.742  1.0
  Co  Co10  1  0.742  0.875  0.258  1.0
  Co  Co11  1  0.742  0.125  0.741  1.0
  O  O12  1  0.272  0.258  0.030  1.0
  O  O13  1  0.728  0.242  0.029  1.0
  O  O14  1  0.029  0.992  0.272  1.0
  O  O15  1  0.971  0.508  0.272  1.0
  O  O16  1  0.029  0.008  0.728  1.0
  O  O17  1  0.971  0.492  0.728  1.0
  O  O18  1  0.272  0.742  0.971  1.0
  O  O19  1  0.728  0.758  0.970  1.0
  O  O20  1  0.485  0.023  0.269  1.0
  O  O21  1  0.515  0.477  0.269  1.0
  O  O22  1  0.269  0.227  0.485  1.0
  O  O23  1  0.731  0.273  0.485  1.0
  O  O24  1  0.269  0.773  0.515  1.0
  O  O25  1  0.731  0.727  0.515  1.0
  O  O26  1  0.515  0.523  0.731  1.0
  O  O27  1  0.485  0.977  0.731  1.0
[/CIF]
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The structure described by LiCoVO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one Co(1) atom to form distorted OLi2VCo trigonal pyramids that share corners with six equivalent O(1)Li2VCo trigonal pyramids, corners with six equivalent O(2)LiV2Co trigonal pyramids,  an edgeedge with one O(1)Li2VCo trigonal pyramid, and edges with two equivalent O(2)LiV2Co trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Co(1) atom to form distorted OLiV2Co trigonal pyramids that share corners with six equivalent O(1)Li2VCo trigonal pyramids, corners with six equivalent O(2)LiV2Co trigonal pyramids,  an edgeedge with one O(2)LiV2Co trigonal pyramid, and edges with two equivalent O(1)Li2VCo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   8.238
_cell_length_c   5.976
_cell_angle_alpha   89.999
_cell_angle_beta   90.008
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   294.098
_cell_formula_units_Z   4
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  0.244  1.000  0.000  1.0
  Li  Li1  1  0.756  0.500  0.000  1.0
  Li  Li2  1  0.000  0.250  0.244  1.0
  Li  Li3  1  0.000  0.750  0.756  1.0
  V  V4  1  0.780  0.500  0.500  1.0
  V  V5  1  0.500  0.750  0.780  1.0
  V  V6  1  0.500  0.250  0.220  1.0
  V  V7  1  0.220  1.000  0.500  1.0
  Co  Co8  1  0.258  0.625  0.258  1.0
  Co  Co9  1  0.259  0.375  0.742  1.0
  Co  Co10  1  0.742  0.875  0.258  1.0
  Co  Co11  1  0.742  0.125  0.741  1.0
  O  O12  1  0.272  0.258  0.030  1.0
  O  O13  1  0.728  0.242  0.029  1.0
  O  O14  1  0.029  0.992  0.272  1.0
  O  O15  1  0.971  0.508  0.272  1.0
  O  O16  1  0.029  0.008  0.728  1.0
  O  O17  1  0.971  0.492  0.728  1.0
  O  O18  1  0.272  0.742  0.971  1.0
  O  O19  1  0.728  0.758  0.970  1.0
  O  O20  1  0.485  0.023  0.269  1.0
  O  O21  1  0.515  0.477  0.269  1.0
  O  O22  1  0.269  0.227  0.485  1.0
  O  O23  1  0.731  0.273  0.485  1.0
  O  O24  1  0.269  0.773  0.515  1.0
  O  O25  1  0.731  0.727  0.515  1.0
  O  O26  1  0.515  0.523  0.731  1.0
  O  O27  1  0.485  0.977  0.731  1.0
[/CIF]
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