The material described by LiV2(CO3)4 crystallizes in the orthorhombic I2_12_12_1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), 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(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.615
_cell_length_b   8.615
_cell_length_c   8.615
_cell_angle_alpha   113.935
_cell_angle_beta   108.202
_cell_angle_gamma   106.376
_symmetry_Int_Tables_number   1
_cell_volume   489.887
_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  0.067  0.317  0.750  1.0
  Li  Li1  1  0.433  0.183  0.250  1.0
  V  V2  1  0.218  0.250  0.468  1.0
  V  V3  1  0.769  0.019  0.750  1.0
  V  V4  1  0.282  0.750  0.032  1.0
  V  V5  1  0.731  0.481  0.250  1.0
  C  C6  1  0.417  0.444  0.930  1.0
  C  C7  1  0.518  0.574  0.484  1.0
  C  C8  1  0.911  0.926  0.444  1.0
  C  C9  1  0.083  0.013  0.027  1.0
  C  C10  1  0.982  0.467  0.056  1.0
  C  C11  1  0.014  0.487  0.570  1.0
  C  C12  1  0.486  0.056  0.473  1.0
  C  C13  1  0.589  0.033  0.016  1.0
  O  O14  1  0.541  0.457  0.348  1.0
  O  O15  1  0.299  0.336  0.744  1.0
  O  O16  1  0.027  0.988  0.396  1.0
  O  O17  1  0.391  0.574  0.043  1.0
  O  O18  1  0.409  0.512  0.540  1.0
  O  O19  1  0.802  0.742  0.348  1.0
  O  O20  1  0.953  0.946  0.857  1.0
  O  O21  1  0.891  0.043  0.584  1.0
  O  O22  1  0.109  0.152  0.182  1.0
  O  O23  1  0.959  0.308  0.916  1.0
  O  O24  1  0.606  0.758  0.560  1.0
  O  O25  1  0.030  0.348  0.457  1.0
  O  O26  1  0.894  0.454  0.152  1.0
  O  O27  1  0.092  0.554  0.756  1.0
  O  O28  1  0.698  0.046  0.940  1.0
  O  O29  1  0.470  0.926  0.318  1.0
  O  O30  1  0.589  0.096  0.643  1.0
  O  O31  1  0.911  0.554  0.507  1.0
  O  O32  1  0.408  0.164  0.462  1.0
  O  O33  1  0.473  0.869  0.960  1.0
  O  O34  1  0.609  0.192  0.152  1.0
  O  O35  1  0.091  0.631  0.104  1.0
  O  O36  1  0.547  0.404  0.993  1.0
  O  O37  1  0.201  0.946  0.038  1.0
[/CIF]
.
The material described by LiV2(CO3)4 crystallizes in the orthorhombic I2_12_12_1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), 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(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.615
_cell_length_b   8.615
_cell_length_c   8.615
_cell_angle_alpha   113.935
_cell_angle_beta   108.202
_cell_angle_gamma   106.376
_symmetry_Int_Tables_number   1
_cell_volume   489.887
_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  0.067  0.317  0.750  1.0
  Li  Li1  1  0.433  0.183  0.250  1.0
  V  V2  1  0.218  0.250  0.468  1.0
  V  V3  1  0.769  0.019  0.750  1.0
  V  V4  1  0.282  0.750  0.032  1.0
  V  V5  1  0.731  0.481  0.250  1.0
  C  C6  1  0.417  0.444  0.930  1.0
  C  C7  1  0.518  0.574  0.484  1.0
  C  C8  1  0.911  0.926  0.444  1.0
  C  C9  1  0.083  0.013  0.027  1.0
  C  C10  1  0.982  0.467  0.056  1.0
  C  C11  1  0.014  0.487  0.570  1.0
  C  C12  1  0.486  0.056  0.473  1.0
  C  C13  1  0.589  0.033  0.016  1.0
  O  O14  1  0.541  0.457  0.348  1.0
  O  O15  1  0.299  0.336  0.744  1.0
  O  O16  1  0.027  0.988  0.396  1.0
  O  O17  1  0.391  0.574  0.043  1.0
  O  O18  1  0.409  0.512  0.540  1.0
  O  O19  1  0.802  0.742  0.348  1.0
  O  O20  1  0.953  0.946  0.857  1.0
  O  O21  1  0.891  0.043  0.584  1.0
  O  O22  1  0.109  0.152  0.182  1.0
  O  O23  1  0.959  0.308  0.916  1.0
  O  O24  1  0.606  0.758  0.560  1.0
  O  O25  1  0.030  0.348  0.457  1.0
  O  O26  1  0.894  0.454  0.152  1.0
  O  O27  1  0.092  0.554  0.756  1.0
  O  O28  1  0.698  0.046  0.940  1.0
  O  O29  1  0.470  0.926  0.318  1.0
  O  O30  1  0.589  0.096  0.643  1.0
  O  O31  1  0.911  0.554  0.507  1.0
  O  O32  1  0.408  0.164  0.462  1.0
  O  O33  1  0.473  0.869  0.960  1.0
  O  O34  1  0.609  0.192  0.152  1.0
  O  O35  1  0.091  0.631  0.104  1.0
  O  O36  1  0.547  0.404  0.993  1.0
  O  O37  1  0.201  0.946  0.038  1.0
[/CIF]
.