The crystal structure described by LiV2(CO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(12), and one O(4) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a pentagonal bipyramidal geometry to one O(1), one O(10), one O(12), one O(2), one O(5), one O(7), and one O(9) atom. In the second V site, V(2) is bonded to one O(11), one O(4), one O(6), one O(8), and two equivalent O(3) atoms to form distorted edge-sharing VO6 pentagonal pyramids. There are four 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(4) 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   7.872
_cell_length_b   7.984
_cell_length_c   8.589
_cell_angle_alpha   102.698
_cell_angle_beta   102.022
_cell_angle_gamma   106.949
_symmetry_Int_Tables_number   1
_cell_volume   481.809
_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  0.205  0.017  0.816  1.0
  Li  Li1  1  0.795  0.983  0.184  1.0
  V  V2  1  0.287  0.742  0.551  1.0
  V  V3  1  0.206  0.464  0.061  1.0
  V  V4  1  0.794  0.536  0.939  1.0
  V  V5  1  0.713  0.258  0.449  1.0
  C  C6  1  0.006  0.733  0.233  1.0
  C  C7  1  0.056  0.335  0.313  1.0
  C  C8  1  0.468  0.632  0.757  1.0
  C  C9  1  0.462  0.849  0.280  1.0
  C  C10  1  0.538  0.151  0.720  1.0
  C  C11  1  0.532  0.368  0.243  1.0
  C  C12  1  0.944  0.665  0.687  1.0
  C  C13  1  0.994  0.267  0.767  1.0
  O  O14  1  0.075  0.777  0.650  1.0
  O  O15  1  0.113  0.825  0.376  1.0
  O  O16  1  0.011  0.578  0.142  1.0
  O  O17  1  0.128  0.224  0.847  1.0
  O  O18  1  0.156  0.492  0.418  1.0
  O  O19  1  0.084  0.281  0.172  1.0
  O  O20  1  0.306  0.644  0.757  1.0
  O  O21  1  0.360  0.732  0.139  1.0
  O  O22  1  0.449  0.820  0.420  1.0
  O  O23  1  0.527  0.689  0.641  1.0
  O  O24  1  0.551  0.570  0.861  1.0
  O  O25  1  0.412  0.003  0.720  1.0
  O  O26  1  0.588  0.997  0.280  1.0
  O  O27  1  0.449  0.430  0.139  1.0
  O  O28  1  0.473  0.311  0.359  1.0
  O  O29  1  0.551  0.180  0.580  1.0
  O  O30  1  0.640  0.268  0.861  1.0
  O  O31  1  0.694  0.356  0.243  1.0
  O  O32  1  0.916  0.719  0.828  1.0
  O  O33  1  0.844  0.507  0.582  1.0
  O  O34  1  0.872  0.776  0.153  1.0
  O  O35  1  0.989  0.422  0.858  1.0
  O  O36  1  0.887  0.175  0.624  1.0
  O  O37  1  0.925  0.223  0.350  1.0
[/CIF]
.
The crystal structure described by LiV2(CO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(12), and one O(4) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a pentagonal bipyramidal geometry to one O(1), one O(10), one O(12), one O(2), one O(5), one O(7), and one O(9) atom. In the second V site, V(2) is bonded to one O(11), one O(4), one O(6), one O(8), and two equivalent O(3) atoms to form distorted edge-sharing VO6 pentagonal pyramids. There are four 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(4) 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   7.872
_cell_length_b   7.984
_cell_length_c   8.589
_cell_angle_alpha   102.698
_cell_angle_beta   102.022
_cell_angle_gamma   106.949
_symmetry_Int_Tables_number   1
_cell_volume   481.809
_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  0.205  0.017  0.816  1.0
  Li  Li1  1  0.795  0.983  0.184  1.0
  V  V2  1  0.287  0.742  0.551  1.0
  V  V3  1  0.206  0.464  0.061  1.0
  V  V4  1  0.794  0.536  0.939  1.0
  V  V5  1  0.713  0.258  0.449  1.0
  C  C6  1  0.006  0.733  0.233  1.0
  C  C7  1  0.056  0.335  0.313  1.0
  C  C8  1  0.468  0.632  0.757  1.0
  C  C9  1  0.462  0.849  0.280  1.0
  C  C10  1  0.538  0.151  0.720  1.0
  C  C11  1  0.532  0.368  0.243  1.0
  C  C12  1  0.944  0.665  0.687  1.0
  C  C13  1  0.994  0.267  0.767  1.0
  O  O14  1  0.075  0.777  0.650  1.0
  O  O15  1  0.113  0.825  0.376  1.0
  O  O16  1  0.011  0.578  0.142  1.0
  O  O17  1  0.128  0.224  0.847  1.0
  O  O18  1  0.156  0.492  0.418  1.0
  O  O19  1  0.084  0.281  0.172  1.0
  O  O20  1  0.306  0.644  0.757  1.0
  O  O21  1  0.360  0.732  0.139  1.0
  O  O22  1  0.449  0.820  0.420  1.0
  O  O23  1  0.527  0.689  0.641  1.0
  O  O24  1  0.551  0.570  0.861  1.0
  O  O25  1  0.412  0.003  0.720  1.0
  O  O26  1  0.588  0.997  0.280  1.0
  O  O27  1  0.449  0.430  0.139  1.0
  O  O28  1  0.473  0.311  0.359  1.0
  O  O29  1  0.551  0.180  0.580  1.0
  O  O30  1  0.640  0.268  0.861  1.0
  O  O31  1  0.694  0.356  0.243  1.0
  O  O32  1  0.916  0.719  0.828  1.0
  O  O33  1  0.844  0.507  0.582  1.0
  O  O34  1  0.872  0.776  0.153  1.0
  O  O35  1  0.989  0.422  0.858  1.0
  O  O36  1  0.887  0.175  0.624  1.0
  O  O37  1  0.925  0.223  0.350  1.0
[/CIF]
.