The structure described by LiVSiCO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. 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. The corner-sharing octahedral tilt angles range from 33-40°. 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 bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_LiVSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   5.333
_cell_length_c   8.682
_cell_angle_alpha   84.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.881
_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  0.469  0.779  0.811  1.0
  Li  Li1  1  0.969  0.221  0.189  1.0
  V  V2  1  0.248  0.195  0.661  1.0
  V  V3  1  0.748  0.805  0.339  1.0
  Si  Si4  1  0.751  0.263  0.565  1.0
  Si  Si5  1  0.251  0.737  0.435  1.0
  C  C6  1  0.252  0.277  0.934  1.0
  C  C7  1  0.752  0.723  0.066  1.0
  O  O8  1  0.718  0.685  0.930  1.0
  O  O9  1  0.254  0.050  0.881  1.0
  O  O10  1  0.281  0.454  0.817  1.0
  O  O11  1  0.964  0.200  0.667  1.0
  O  O12  1  0.550  0.175  0.668  1.0
  O  O13  1  0.262  0.883  0.593  1.0
  O  O14  1  0.755  0.567  0.503  1.0
  O  O15  1  0.255  0.433  0.497  1.0
  O  O16  1  0.762  0.117  0.407  1.0
  O  O17  1  0.050  0.825  0.332  1.0
  O  O18  1  0.464  0.800  0.333  1.0
  O  O19  1  0.781  0.546  0.183  1.0
  O  O20  1  0.754  0.950  0.119  1.0
  O  O21  1  0.218  0.315  0.070  1.0
[/CIF]
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The structure described by LiVSiCO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. 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. The corner-sharing octahedral tilt angles range from 33-40°. 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 bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_LiVSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   5.333
_cell_length_c   8.682
_cell_angle_alpha   84.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.881
_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  0.469  0.779  0.811  1.0
  Li  Li1  1  0.969  0.221  0.189  1.0
  V  V2  1  0.248  0.195  0.661  1.0
  V  V3  1  0.748  0.805  0.339  1.0
  Si  Si4  1  0.751  0.263  0.565  1.0
  Si  Si5  1  0.251  0.737  0.435  1.0
  C  C6  1  0.252  0.277  0.934  1.0
  C  C7  1  0.752  0.723  0.066  1.0
  O  O8  1  0.718  0.685  0.930  1.0
  O  O9  1  0.254  0.050  0.881  1.0
  O  O10  1  0.281  0.454  0.817  1.0
  O  O11  1  0.964  0.200  0.667  1.0
  O  O12  1  0.550  0.175  0.668  1.0
  O  O13  1  0.262  0.883  0.593  1.0
  O  O14  1  0.755  0.567  0.503  1.0
  O  O15  1  0.255  0.433  0.497  1.0
  O  O16  1  0.762  0.117  0.407  1.0
  O  O17  1  0.050  0.825  0.332  1.0
  O  O18  1  0.464  0.800  0.333  1.0
  O  O19  1  0.781  0.546  0.183  1.0
  O  O20  1  0.754  0.950  0.119  1.0
  O  O21  1  0.218  0.315  0.070  1.0
[/CIF]
.