The material structure described by Li2VCr2O6 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three equivalent Cr(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of edge and corner-sharing OLi2VCr2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of edge and corner-sharing OLi2VCr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   10.217
_cell_length_c   5.158
_cell_angle_alpha   90.003
_cell_angle_beta   119.597
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   233.482
_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  0.149  0.750  0.500  1.0
  Li  Li1  1  0.351  0.250  0.500  1.0
  Li  Li2  1  0.649  0.750  0.500  1.0
  Li  Li3  1  0.851  0.250  0.500  1.0
  V  V4  1  0.500  0.500  0.999  1.0
  V  V5  1  1.000  1.000  0.999  1.0
  Cr  Cr6  1  0.666  1.000  0.332  1.0
  Cr  Cr7  1  0.835  0.500  0.670  1.0
  Cr  Cr8  1  0.166  0.500  0.332  1.0
  Cr  Cr9  1  0.335  1.000  0.670  1.0
  O  O10  1  0.186  0.597  1.000  1.0
  O  O11  1  0.314  0.097  1.000  1.0
  O  O12  1  0.686  0.903  1.000  1.0
  O  O13  1  0.814  0.403  1.000  1.0
  O  O14  1  0.009  0.106  0.340  1.0
  O  O15  1  0.992  0.893  0.660  1.0
  O  O16  1  0.168  0.393  0.660  1.0
  O  O17  1  0.492  0.607  0.660  1.0
  O  O18  1  0.331  0.894  0.340  1.0
  O  O19  1  0.509  0.394  0.340  1.0
  O  O20  1  0.831  0.606  0.340  1.0
  O  O21  1  0.668  0.107  0.660  1.0
[/CIF]
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The material structure described by Li2VCr2O6 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with three equivalent V(1)O6 octahedra and edges with three equivalent Cr(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of edge and corner-sharing OLi2VCr2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one V(1), one Cr(1), and one Cr(2) atom to form a mixture of edge and corner-sharing OLi2VCr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   10.217
_cell_length_c   5.158
_cell_angle_alpha   90.003
_cell_angle_beta   119.597
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   233.482
_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  0.149  0.750  0.500  1.0
  Li  Li1  1  0.351  0.250  0.500  1.0
  Li  Li2  1  0.649  0.750  0.500  1.0
  Li  Li3  1  0.851  0.250  0.500  1.0
  V  V4  1  0.500  0.500  0.999  1.0
  V  V5  1  1.000  1.000  0.999  1.0
  Cr  Cr6  1  0.666  1.000  0.332  1.0
  Cr  Cr7  1  0.835  0.500  0.670  1.0
  Cr  Cr8  1  0.166  0.500  0.332  1.0
  Cr  Cr9  1  0.335  1.000  0.670  1.0
  O  O10  1  0.186  0.597  1.000  1.0
  O  O11  1  0.314  0.097  1.000  1.0
  O  O12  1  0.686  0.903  1.000  1.0
  O  O13  1  0.814  0.403  1.000  1.0
  O  O14  1  0.009  0.106  0.340  1.0
  O  O15  1  0.992  0.893  0.660  1.0
  O  O16  1  0.168  0.393  0.660  1.0
  O  O17  1  0.492  0.607  0.660  1.0
  O  O18  1  0.331  0.894  0.340  1.0
  O  O19  1  0.509  0.394  0.340  1.0
  O  O20  1  0.831  0.606  0.340  1.0
  O  O21  1  0.668  0.107  0.660  1.0
[/CIF]
.