The compound described by LiV2(CO3)4 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  an edgeedge with one V(1)O6 octahedra and edges with two equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one C(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(1) atom. is represented by the CIF file [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.126
_cell_length_c   6.126
_cell_angle_alpha   90.285
_cell_angle_beta   102.750
_cell_angle_gamma   102.749
_symmetry_Int_Tables_number   1
_cell_volume   216.645
_cell_formula_units_Z   1
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  0.797  0.887  0.696  1.0
  C  C1  1  0.703  0.304  0.113  1.0
  C  C2  1  0.289  0.691  0.878  1.0
  C  C3  1  0.211  0.122  0.309  1.0
  Li  Li4  1  0.750  0.401  0.599  1.0
  O  O5  1  0.067  0.924  0.306  1.0
  O  O6  1  0.433  0.694  0.076  1.0
  O  O7  1  0.267  0.875  0.791  1.0
  O  O8  1  0.233  0.209  0.125  1.0
  O  O9  1  0.787  0.793  0.882  1.0
  O  O10  1  0.713  0.118  0.207  1.0
  O  O11  1  0.707  0.758  0.515  1.0
  O  O12  1  0.793  0.485  0.242  1.0
  O  O13  1  0.173  0.504  0.778  1.0
  O  O14  1  0.327  0.222  0.496  1.0
  O  O15  1  0.600  0.313  0.906  1.0
  O  O16  1  0.900  0.094  0.687  1.0
  V  V17  1  0.750  0.803  0.197  1.0
  V  V18  1  0.250  0.193  0.807  1.0
[/CIF]
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The compound described by LiV2(CO3)4 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  an edgeedge with one V(1)O6 octahedra and edges with two equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share edges with two equivalent Li(1)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one C(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(1) atom. is represented by the CIF file [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.126
_cell_length_c   6.126
_cell_angle_alpha   90.285
_cell_angle_beta   102.750
_cell_angle_gamma   102.749
_symmetry_Int_Tables_number   1
_cell_volume   216.645
_cell_formula_units_Z   1
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  0.797  0.887  0.696  1.0
  C  C1  1  0.703  0.304  0.113  1.0
  C  C2  1  0.289  0.691  0.878  1.0
  C  C3  1  0.211  0.122  0.309  1.0
  Li  Li4  1  0.750  0.401  0.599  1.0
  O  O5  1  0.067  0.924  0.306  1.0
  O  O6  1  0.433  0.694  0.076  1.0
  O  O7  1  0.267  0.875  0.791  1.0
  O  O8  1  0.233  0.209  0.125  1.0
  O  O9  1  0.787  0.793  0.882  1.0
  O  O10  1  0.713  0.118  0.207  1.0
  O  O11  1  0.707  0.758  0.515  1.0
  O  O12  1  0.793  0.485  0.242  1.0
  O  O13  1  0.173  0.504  0.778  1.0
  O  O14  1  0.327  0.222  0.496  1.0
  O  O15  1  0.600  0.313  0.906  1.0
  O  O16  1  0.900  0.094  0.687  1.0
  V  V17  1  0.750  0.803  0.197  1.0
  V  V18  1  0.250  0.193  0.807  1.0
[/CIF]
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