The material structure described by Li3VSiCO7 crystallizes in the monoclinic P2_1/m 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), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), 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), and two equivalent O(6) atoms 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), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with six equivalent O(6)Li2VSi trigonal pyramids and  an edgeedge with one O(1)Li3C tetrahedra. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Li(2), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi trigonal pyramids that share corners with two equivalent O(1)Li3C tetrahedra, corners with three equivalent O(4)Li2VSi tetrahedra,  a cornercorner with one O(6)Li2VSi trigonal pyramid, and  an edgeedge with one O(6)Li2VSi trigonal pyramid. is represented by the CIF card [CIF]
data_Li3VSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   6.487
_cell_length_c   8.396
_cell_angle_alpha   89.999
_cell_angle_beta   94.788
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   274.640
_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  0.700  0.750  0.970  1.0
  C  C1  1  0.301  0.250  0.030  1.0
  Li  Li2  1  0.775  0.250  0.891  1.0
  Li  Li3  1  0.226  0.750  0.109  1.0
  Li  Li4  1  0.244  0.036  0.708  1.0
  Li  Li5  1  0.244  0.463  0.708  1.0
  Li  Li6  1  0.755  0.536  0.292  1.0
  Li  Li7  1  0.755  0.964  0.292  1.0
  O  O8  1  0.366  0.250  0.885  1.0
  O  O9  1  0.634  0.750  0.115  1.0
  O  O10  1  0.946  0.750  0.935  1.0
  O  O11  1  0.055  0.250  0.065  1.0
  O  O12  1  0.520  0.750  0.849  1.0
  O  O13  1  0.481  0.250  0.151  1.0
  O  O14  1  0.388  0.250  0.551  1.0
  O  O15  1  0.612  0.750  0.449  1.0
  O  O16  1  0.163  0.750  0.595  1.0
  O  O17  1  0.837  0.250  0.405  1.0
  O  O18  1  0.821  0.056  0.695  1.0
  O  O19  1  0.820  0.444  0.695  1.0
  O  O20  1  0.180  0.556  0.305  1.0
  O  O21  1  0.180  0.944  0.305  1.0
  Si  Si22  1  0.714  0.250  0.580  1.0
  Si  Si23  1  0.285  0.750  0.420  1.0
  V  V24  1  0.807  0.750  0.680  1.0
  V  V25  1  0.193  0.250  0.320  1.0
[/CIF]
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The material structure described by Li3VSiCO7 crystallizes in the monoclinic P2_1/m 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), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), 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), and two equivalent O(6) atoms 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), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi tetrahedra that share corners with six equivalent O(6)Li2VSi trigonal pyramids and  an edgeedge with one O(1)Li3C tetrahedra. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Li(2), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form distorted OLi2VSi trigonal pyramids that share corners with two equivalent O(1)Li3C tetrahedra, corners with three equivalent O(4)Li2VSi tetrahedra,  a cornercorner with one O(6)Li2VSi trigonal pyramid, and  an edgeedge with one O(6)Li2VSi trigonal pyramid. is represented by the CIF card [CIF]
data_Li3VSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   6.487
_cell_length_c   8.396
_cell_angle_alpha   89.999
_cell_angle_beta   94.788
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   274.640
_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  0.700  0.750  0.970  1.0
  C  C1  1  0.301  0.250  0.030  1.0
  Li  Li2  1  0.775  0.250  0.891  1.0
  Li  Li3  1  0.226  0.750  0.109  1.0
  Li  Li4  1  0.244  0.036  0.708  1.0
  Li  Li5  1  0.244  0.463  0.708  1.0
  Li  Li6  1  0.755  0.536  0.292  1.0
  Li  Li7  1  0.755  0.964  0.292  1.0
  O  O8  1  0.366  0.250  0.885  1.0
  O  O9  1  0.634  0.750  0.115  1.0
  O  O10  1  0.946  0.750  0.935  1.0
  O  O11  1  0.055  0.250  0.065  1.0
  O  O12  1  0.520  0.750  0.849  1.0
  O  O13  1  0.481  0.250  0.151  1.0
  O  O14  1  0.388  0.250  0.551  1.0
  O  O15  1  0.612  0.750  0.449  1.0
  O  O16  1  0.163  0.750  0.595  1.0
  O  O17  1  0.837  0.250  0.405  1.0
  O  O18  1  0.821  0.056  0.695  1.0
  O  O19  1  0.820  0.444  0.695  1.0
  O  O20  1  0.180  0.556  0.305  1.0
  O  O21  1  0.180  0.944  0.305  1.0
  Si  Si22  1  0.714  0.250  0.580  1.0
  Si  Si23  1  0.285  0.750  0.420  1.0
  V  V24  1  0.807  0.750  0.680  1.0
  V  V25  1  0.193  0.250  0.320  1.0
[/CIF]
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