The crystal structure described by Li2VSiCO7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-47°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li2VSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   6.400
_cell_length_c   8.302
_cell_angle_alpha   90.005
_cell_angle_beta   83.867
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   272.388
_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
  C  C0  1  0.325  0.249  0.953  1.0
  C  C1  1  0.675  0.749  0.047  1.0
  Li  Li2  1  0.208  0.749  0.898  1.0
  Li  Li3  1  0.792  0.249  0.102  1.0
  Li  Li4  1  0.741  0.550  0.719  1.0
  Li  Li5  1  0.259  0.050  0.280  1.0
  O  O6  1  0.078  0.234  0.927  1.0
  O  O7  1  0.922  0.734  0.073  1.0
  O  O8  1  0.594  0.725  0.910  1.0
  O  O9  1  0.406  0.225  0.090  1.0
  O  O10  1  0.481  0.285  0.821  1.0
  O  O11  1  0.519  0.785  0.179  1.0
  O  O12  1  0.209  0.951  0.701  1.0
  O  O13  1  0.791  0.451  0.299  1.0
  O  O14  1  0.162  0.558  0.696  1.0
  O  O15  1  0.838  0.058  0.304  1.0
  O  O16  1  0.877  0.273  0.585  1.0
  O  O17  1  0.123  0.773  0.415  1.0
  O  O18  1  0.588  0.720  0.526  1.0
  O  O19  1  0.412  0.220  0.474  1.0
  Si  Si20  1  0.274  0.751  0.578  1.0
  Si  Si21  1  0.726  0.251  0.422  1.0
  V  V22  1  0.188  0.244  0.674  1.0
  V  V23  1  0.812  0.744  0.326  1.0
[/CIF]
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The crystal structure described by Li2VSiCO7 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-47°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li2VSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.156
_cell_length_b   6.400
_cell_length_c   8.302
_cell_angle_alpha   90.005
_cell_angle_beta   83.867
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   272.388
_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
  C  C0  1  0.325  0.249  0.953  1.0
  C  C1  1  0.675  0.749  0.047  1.0
  Li  Li2  1  0.208  0.749  0.898  1.0
  Li  Li3  1  0.792  0.249  0.102  1.0
  Li  Li4  1  0.741  0.550  0.719  1.0
  Li  Li5  1  0.259  0.050  0.280  1.0
  O  O6  1  0.078  0.234  0.927  1.0
  O  O7  1  0.922  0.734  0.073  1.0
  O  O8  1  0.594  0.725  0.910  1.0
  O  O9  1  0.406  0.225  0.090  1.0
  O  O10  1  0.481  0.285  0.821  1.0
  O  O11  1  0.519  0.785  0.179  1.0
  O  O12  1  0.209  0.951  0.701  1.0
  O  O13  1  0.791  0.451  0.299  1.0
  O  O14  1  0.162  0.558  0.696  1.0
  O  O15  1  0.838  0.058  0.304  1.0
  O  O16  1  0.877  0.273  0.585  1.0
  O  O17  1  0.123  0.773  0.415  1.0
  O  O18  1  0.588  0.720  0.526  1.0
  O  O19  1  0.412  0.220  0.474  1.0
  Si  Si20  1  0.274  0.751  0.578  1.0
  Si  Si21  1  0.726  0.251  0.422  1.0
  V  V22  1  0.188  0.244  0.674  1.0
  V  V23  1  0.812  0.744  0.326  1.0
[/CIF]
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