The material described by Li2V(CO3)2 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 trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(4) atoms. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 65°. 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(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 V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(2) 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 C(2) atom. is represented by the CIF card [CIF]
data_Li2V(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   6.530
_cell_length_c   8.488
_cell_angle_alpha   100.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.436
_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  0.026  0.796  0.174  1.0
  C  C1  1  0.526  0.204  0.826  1.0
  C  C2  1  0.468  0.261  0.397  1.0
  C  C3  1  0.968  0.739  0.603  1.0
  Li  Li4  1  0.531  0.916  0.057  1.0
  Li  Li5  1  0.031  0.084  0.943  1.0
  Li  Li6  1  0.964  0.451  0.345  1.0
  Li  Li7  1  0.464  0.549  0.655  1.0
  O  O8  1  0.913  0.894  0.072  1.0
  O  O9  1  0.413  0.106  0.928  1.0
  O  O10  1  0.291  0.784  0.183  1.0
  O  O11  1  0.791  0.216  0.817  1.0
  O  O12  1  0.878  0.704  0.268  1.0
  O  O13  1  0.378  0.296  0.732  1.0
  O  O14  1  0.566  0.446  0.400  1.0
  O  O15  1  0.066  0.554  0.600  1.0
  O  O16  1  0.133  0.884  0.572  1.0
  O  O17  1  0.633  0.116  0.428  1.0
  O  O18  1  0.213  0.222  0.368  1.0
  O  O19  1  0.713  0.778  0.632  1.0
  V  V20  1  0.506  0.792  0.404  1.0
  V  V21  1  0.006  0.208  0.596  1.0
[/CIF]
.
The material described by Li2V(CO3)2 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 trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(4) atoms. V(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 65°. 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(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 V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(2), one V(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one C(2) 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 C(2) atom. is represented by the CIF card [CIF]
data_Li2V(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   6.530
_cell_length_c   8.488
_cell_angle_alpha   100.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.436
_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  0.026  0.796  0.174  1.0
  C  C1  1  0.526  0.204  0.826  1.0
  C  C2  1  0.468  0.261  0.397  1.0
  C  C3  1  0.968  0.739  0.603  1.0
  Li  Li4  1  0.531  0.916  0.057  1.0
  Li  Li5  1  0.031  0.084  0.943  1.0
  Li  Li6  1  0.964  0.451  0.345  1.0
  Li  Li7  1  0.464  0.549  0.655  1.0
  O  O8  1  0.913  0.894  0.072  1.0
  O  O9  1  0.413  0.106  0.928  1.0
  O  O10  1  0.291  0.784  0.183  1.0
  O  O11  1  0.791  0.216  0.817  1.0
  O  O12  1  0.878  0.704  0.268  1.0
  O  O13  1  0.378  0.296  0.732  1.0
  O  O14  1  0.566  0.446  0.400  1.0
  O  O15  1  0.066  0.554  0.600  1.0
  O  O16  1  0.133  0.884  0.572  1.0
  O  O17  1  0.633  0.116  0.428  1.0
  O  O18  1  0.213  0.222  0.368  1.0
  O  O19  1  0.713  0.778  0.632  1.0
  V  V20  1  0.506  0.792  0.404  1.0
  V  V21  1  0.006  0.208  0.596  1.0
[/CIF]
.