The crystal structure described by Li2V3(CO3)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3(CO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.807
_cell_length_b   6.083
_cell_length_c   12.187
_cell_angle_alpha   100.895
_cell_angle_beta   90.025
_cell_angle_gamma   113.241
_symmetry_Int_Tables_number   1
_cell_volume   320.446
_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
  Li  Li0  1  0.928  0.354  0.772  1.0
  Li  Li1  1  0.072  0.646  0.228  1.0
  V  V2  1  0.338  0.168  0.162  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.662  0.832  0.838  1.0
  C  C5  1  0.535  0.578  0.366  1.0
  C  C6  1  0.208  0.915  0.699  1.0
  C  C7  1  0.465  0.422  0.634  1.0
  C  C8  1  0.878  0.249  0.033  1.0
  C  C9  1  0.122  0.751  0.967  1.0
  C  C10  1  0.792  0.085  0.301  1.0
  O  O11  1  0.485  0.942  0.716  1.0
  O  O12  1  0.515  0.058  0.284  1.0
  O  O13  1  0.577  0.344  0.548  1.0
  O  O14  1  0.617  0.505  0.731  1.0
  O  O15  1  0.383  0.495  0.269  1.0
  O  O16  1  0.066  0.798  0.599  1.0
  O  O17  1  0.423  0.656  0.452  1.0
  O  O18  1  0.071  0.004  0.772  1.0
  O  O19  1  0.149  0.259  0.046  1.0
  O  O20  1  0.186  0.411  0.626  1.0
  O  O21  1  0.232  0.657  0.882  1.0
  O  O22  1  0.929  0.996  0.228  1.0
  O  O23  1  0.277  0.841  0.063  1.0
  O  O24  1  0.934  0.202  0.401  1.0
  O  O25  1  0.723  0.159  0.937  1.0
  O  O26  1  0.768  0.343  0.118  1.0
  O  O27  1  0.814  0.589  0.374  1.0
  O  O28  1  0.851  0.741  0.954  1.0
[/CIF]
.
The crystal structure described by Li2V3(CO3)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(6), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one C(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3(CO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.807
_cell_length_b   6.083
_cell_length_c   12.187
_cell_angle_alpha   100.895
_cell_angle_beta   90.025
_cell_angle_gamma   113.241
_symmetry_Int_Tables_number   1
_cell_volume   320.446
_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
  Li  Li0  1  0.928  0.354  0.772  1.0
  Li  Li1  1  0.072  0.646  0.228  1.0
  V  V2  1  0.338  0.168  0.162  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  V  V4  1  0.662  0.832  0.838  1.0
  C  C5  1  0.535  0.578  0.366  1.0
  C  C6  1  0.208  0.915  0.699  1.0
  C  C7  1  0.465  0.422  0.634  1.0
  C  C8  1  0.878  0.249  0.033  1.0
  C  C9  1  0.122  0.751  0.967  1.0
  C  C10  1  0.792  0.085  0.301  1.0
  O  O11  1  0.485  0.942  0.716  1.0
  O  O12  1  0.515  0.058  0.284  1.0
  O  O13  1  0.577  0.344  0.548  1.0
  O  O14  1  0.617  0.505  0.731  1.0
  O  O15  1  0.383  0.495  0.269  1.0
  O  O16  1  0.066  0.798  0.599  1.0
  O  O17  1  0.423  0.656  0.452  1.0
  O  O18  1  0.071  0.004  0.772  1.0
  O  O19  1  0.149  0.259  0.046  1.0
  O  O20  1  0.186  0.411  0.626  1.0
  O  O21  1  0.232  0.657  0.882  1.0
  O  O22  1  0.929  0.996  0.228  1.0
  O  O23  1  0.277  0.841  0.063  1.0
  O  O24  1  0.934  0.202  0.401  1.0
  O  O25  1  0.723  0.159  0.937  1.0
  O  O26  1  0.768  0.343  0.118  1.0
  O  O27  1  0.814  0.589  0.374  1.0
  O  O28  1  0.851  0.741  0.954  1.0
[/CIF]
.