The compound described by LiV2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted edge-sharing OLiV3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiV2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.469
_cell_length_b   6.288
_cell_length_c   11.243
_cell_angle_alpha   56.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.622
_cell_formula_units_Z   4
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  0.312  0.463  0.902  1.0
  Li  Li1  1  0.688  0.537  0.098  1.0
  Li  Li2  1  0.188  0.463  0.402  1.0
  Li  Li3  1  0.812  0.537  0.598  1.0
  V  V4  1  0.555  0.006  0.366  1.0
  V  V5  1  0.931  0.484  0.887  1.0
  V  V6  1  0.069  0.516  0.113  1.0
  V  V7  1  0.445  0.994  0.634  1.0
  V  V8  1  0.569  0.484  0.387  1.0
  V  V9  1  0.945  0.006  0.866  1.0
  V  V10  1  0.055  0.994  0.134  1.0
  V  V11  1  0.431  0.516  0.613  1.0
  C  C12  1  0.863  0.047  0.332  1.0
  C  C13  1  0.635  0.531  0.839  1.0
  C  C14  1  0.365  0.469  0.161  1.0
  C  C15  1  0.137  0.953  0.668  1.0
  C  C16  1  0.865  0.531  0.339  1.0
  C  C17  1  0.637  0.047  0.832  1.0
  C  C18  1  0.363  0.953  0.168  1.0
  C  C19  1  0.135  0.469  0.661  1.0
  O  O20  1  0.741  0.138  0.267  1.0
  O  O21  1  0.976  0.145  0.240  1.0
  O  O22  1  0.755  0.590  0.767  1.0
  O  O23  1  0.111  0.377  0.008  1.0
  O  O24  1  0.516  0.604  0.757  1.0
  O  O25  1  0.396  0.857  0.512  1.0
  O  O26  1  0.879  0.890  0.459  1.0
  O  O27  1  0.628  0.423  0.968  1.0
  O  O28  1  0.372  0.577  0.032  1.0
  O  O29  1  0.121  0.110  0.541  1.0
  O  O30  1  0.604  0.143  0.488  1.0
  O  O31  1  0.484  0.396  0.243  1.0
  O  O32  1  0.889  0.623  0.992  1.0
  O  O33  1  0.245  0.410  0.233  1.0
  O  O34  1  0.024  0.855  0.760  1.0
  O  O35  1  0.259  0.862  0.733  1.0
  O  O36  1  0.745  0.590  0.267  1.0
  O  O37  1  0.984  0.604  0.257  1.0
  O  O38  1  0.759  0.138  0.767  1.0
  O  O39  1  0.104  0.857  0.012  1.0
  O  O40  1  0.524  0.145  0.740  1.0
  O  O41  1  0.389  0.377  0.508  1.0
  O  O42  1  0.872  0.423  0.468  1.0
  O  O43  1  0.621  0.890  0.959  1.0
  O  O44  1  0.379  0.110  0.041  1.0
  O  O45  1  0.128  0.577  0.532  1.0
  O  O46  1  0.611  0.623  0.492  1.0
  O  O47  1  0.476  0.855  0.260  1.0
  O  O48  1  0.896  0.143  0.988  1.0
  O  O49  1  0.241  0.862  0.233  1.0
  O  O50  1  0.016  0.396  0.743  1.0
  O  O51  1  0.255  0.410  0.733  1.0
[/CIF]
.
The compound described by LiV2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted edge-sharing OLiV3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiV2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.469
_cell_length_b   6.288
_cell_length_c   11.243
_cell_angle_alpha   56.878
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.622
_cell_formula_units_Z   4
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  0.312  0.463  0.902  1.0
  Li  Li1  1  0.688  0.537  0.098  1.0
  Li  Li2  1  0.188  0.463  0.402  1.0
  Li  Li3  1  0.812  0.537  0.598  1.0
  V  V4  1  0.555  0.006  0.366  1.0
  V  V5  1  0.931  0.484  0.887  1.0
  V  V6  1  0.069  0.516  0.113  1.0
  V  V7  1  0.445  0.994  0.634  1.0
  V  V8  1  0.569  0.484  0.387  1.0
  V  V9  1  0.945  0.006  0.866  1.0
  V  V10  1  0.055  0.994  0.134  1.0
  V  V11  1  0.431  0.516  0.613  1.0
  C  C12  1  0.863  0.047  0.332  1.0
  C  C13  1  0.635  0.531  0.839  1.0
  C  C14  1  0.365  0.469  0.161  1.0
  C  C15  1  0.137  0.953  0.668  1.0
  C  C16  1  0.865  0.531  0.339  1.0
  C  C17  1  0.637  0.047  0.832  1.0
  C  C18  1  0.363  0.953  0.168  1.0
  C  C19  1  0.135  0.469  0.661  1.0
  O  O20  1  0.741  0.138  0.267  1.0
  O  O21  1  0.976  0.145  0.240  1.0
  O  O22  1  0.755  0.590  0.767  1.0
  O  O23  1  0.111  0.377  0.008  1.0
  O  O24  1  0.516  0.604  0.757  1.0
  O  O25  1  0.396  0.857  0.512  1.0
  O  O26  1  0.879  0.890  0.459  1.0
  O  O27  1  0.628  0.423  0.968  1.0
  O  O28  1  0.372  0.577  0.032  1.0
  O  O29  1  0.121  0.110  0.541  1.0
  O  O30  1  0.604  0.143  0.488  1.0
  O  O31  1  0.484  0.396  0.243  1.0
  O  O32  1  0.889  0.623  0.992  1.0
  O  O33  1  0.245  0.410  0.233  1.0
  O  O34  1  0.024  0.855  0.760  1.0
  O  O35  1  0.259  0.862  0.733  1.0
  O  O36  1  0.745  0.590  0.267  1.0
  O  O37  1  0.984  0.604  0.257  1.0
  O  O38  1  0.759  0.138  0.767  1.0
  O  O39  1  0.104  0.857  0.012  1.0
  O  O40  1  0.524  0.145  0.740  1.0
  O  O41  1  0.389  0.377  0.508  1.0
  O  O42  1  0.872  0.423  0.468  1.0
  O  O43  1  0.621  0.890  0.959  1.0
  O  O44  1  0.379  0.110  0.041  1.0
  O  O45  1  0.128  0.577  0.532  1.0
  O  O46  1  0.611  0.623  0.492  1.0
  O  O47  1  0.476  0.855  0.260  1.0
  O  O48  1  0.896  0.143  0.988  1.0
  O  O49  1  0.241  0.862  0.233  1.0
  O  O50  1  0.016  0.396  0.743  1.0
  O  O51  1  0.255  0.410  0.733  1.0
[/CIF]
.