The compound described by Li2V2CoO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three 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 edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent V(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OLi2V2Co trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Li2V2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   10.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.919
_symmetry_Int_Tables_number   1
_cell_volume   234.370
_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  0.163  0.663  0.250  1.0
  Li  Li1  1  0.337  0.837  0.750  1.0
  Li  Li2  1  0.663  0.163  0.250  1.0
  Li  Li3  1  0.837  0.337  0.750  1.0
  V  V4  1  0.337  0.663  0.000  1.0
  V  V5  1  0.163  0.837  0.500  1.0
  V  V6  1  0.837  0.163  0.500  1.0
  V  V7  1  0.663  0.337  0.000  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.143  0.510  0.607  1.0
  O  O11  1  0.857  0.490  0.393  1.0
  O  O12  1  0.010  0.643  0.893  1.0
  O  O13  1  0.357  0.990  0.107  1.0
  O  O14  1  0.662  0.662  0.095  1.0
  O  O15  1  0.838  0.838  0.595  1.0
  O  O16  1  0.162  0.162  0.405  1.0
  O  O17  1  0.490  0.857  0.393  1.0
  O  O18  1  0.338  0.338  0.905  1.0
  O  O19  1  0.643  0.010  0.893  1.0
  O  O20  1  0.990  0.357  0.107  1.0
  O  O21  1  0.510  0.143  0.607  1.0
[/CIF]
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The compound described by Li2V2CoO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three 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 edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent V(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OLi2V2Co trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Li2V2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.145
_cell_length_b   5.145
_cell_length_c   10.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.919
_symmetry_Int_Tables_number   1
_cell_volume   234.370
_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  0.163  0.663  0.250  1.0
  Li  Li1  1  0.337  0.837  0.750  1.0
  Li  Li2  1  0.663  0.163  0.250  1.0
  Li  Li3  1  0.837  0.337  0.750  1.0
  V  V4  1  0.337  0.663  0.000  1.0
  V  V5  1  0.163  0.837  0.500  1.0
  V  V6  1  0.837  0.163  0.500  1.0
  V  V7  1  0.663  0.337  0.000  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.143  0.510  0.607  1.0
  O  O11  1  0.857  0.490  0.393  1.0
  O  O12  1  0.010  0.643  0.893  1.0
  O  O13  1  0.357  0.990  0.107  1.0
  O  O14  1  0.662  0.662  0.095  1.0
  O  O15  1  0.838  0.838  0.595  1.0
  O  O16  1  0.162  0.162  0.405  1.0
  O  O17  1  0.490  0.857  0.393  1.0
  O  O18  1  0.338  0.338  0.905  1.0
  O  O19  1  0.643  0.010  0.893  1.0
  O  O20  1  0.990  0.357  0.107  1.0
  O  O21  1  0.510  0.143  0.607  1.0
[/CIF]
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