The compound described by LiV3CoO10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. Co(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3CoO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   6.587
_cell_length_c   4.652
_cell_angle_alpha   88.280
_cell_angle_beta   88.280
_cell_angle_gamma   90.631
_symmetry_Int_Tables_number   1
_cell_volume   201.621
_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  0.005  0.995  0.000  1.0
  V  V1  1  0.751  0.249  0.500  1.0
  V  V2  1  0.250  0.251  0.382  1.0
  V  V3  1  0.749  0.750  0.618  1.0
  Co  Co4  1  0.249  0.751  0.500  1.0
  O  O5  1  0.756  0.466  0.702  1.0
  O  O6  1  0.232  0.233  0.734  1.0
  O  O7  1  0.534  0.244  0.298  1.0
  O  O8  1  0.964  0.240  0.267  1.0
  O  O9  1  0.760  0.036  0.733  1.0
  O  O10  1  0.238  0.975  0.270  1.0
  O  O11  1  0.025  0.762  0.730  1.0
  O  O12  1  0.475  0.756  0.702  1.0
  O  O13  1  0.767  0.768  0.266  1.0
  O  O14  1  0.244  0.525  0.298  1.0
[/CIF]
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The compound described by LiV3CoO10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. Co(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3CoO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.587
_cell_length_b   6.587
_cell_length_c   4.652
_cell_angle_alpha   88.280
_cell_angle_beta   88.280
_cell_angle_gamma   90.631
_symmetry_Int_Tables_number   1
_cell_volume   201.621
_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  0.005  0.995  0.000  1.0
  V  V1  1  0.751  0.249  0.500  1.0
  V  V2  1  0.250  0.251  0.382  1.0
  V  V3  1  0.749  0.750  0.618  1.0
  Co  Co4  1  0.249  0.751  0.500  1.0
  O  O5  1  0.756  0.466  0.702  1.0
  O  O6  1  0.232  0.233  0.734  1.0
  O  O7  1  0.534  0.244  0.298  1.0
  O  O8  1  0.964  0.240  0.267  1.0
  O  O9  1  0.760  0.036  0.733  1.0
  O  O10  1  0.238  0.975  0.270  1.0
  O  O11  1  0.025  0.762  0.730  1.0
  O  O12  1  0.475  0.756  0.702  1.0
  O  O13  1  0.767  0.768  0.266  1.0
  O  O14  1  0.244  0.525  0.298  1.0
[/CIF]
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