The crystal structure described by LiV2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(2)O6 octahedra and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form distorted VO6 pentagonal pyramids that share  an edgeedge with one Li(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), 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(2), 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(11), one O(7), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one V(1) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one V(2) and one C(1) atom. In the fifth O site, O(5) is bonded in an L-shaped 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 a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar 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(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(4) atom. is represented by the CIF card [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   8.145
_cell_length_c   6.506
_cell_angle_alpha   94.269
_cell_angle_beta   67.265
_cell_angle_gamma   105.340
_symmetry_Int_Tables_number   1
_cell_volume   270.044
_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  0.263  0.184  0.488  1.0
  V  V1  1  0.094  1.000  0.980  1.0
  V  V2  1  0.865  0.498  0.516  1.0
  C  C3  1  0.004  0.784  0.631  1.0
  C  C4  1  0.024  0.720  0.121  1.0
  C  C5  1  0.420  0.276  0.882  1.0
  C  C6  1  0.833  0.209  0.346  1.0
  O  O7  1  0.095  0.943  0.684  1.0
  O  O8  1  0.240  0.847  0.077  1.0
  O  O9  1  0.132  0.670  0.608  1.0
  O  O10  1  0.794  0.742  0.592  1.0
  O  O11  1  0.847  0.762  0.077  1.0
  O  O12  1  0.004  0.577  0.200  1.0
  O  O13  1  0.607  0.409  0.818  1.0
  O  O14  1  0.221  0.236  0.820  1.0
  O  O15  1  0.017  0.283  0.418  1.0
  O  O16  1  0.643  0.280  0.396  1.0
  O  O17  1  0.409  0.159  0.016  1.0
  O  O18  1  0.837  0.071  0.234  1.0
[/CIF]
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The crystal structure described by LiV2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(2)O6 octahedra and  an edgeedge with one V(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form distorted VO6 pentagonal pyramids that share  an edgeedge with one Li(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), 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(2), 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(11), one O(7), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one V(1) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one V(2) and one C(1) atom. In the fifth O site, O(5) is bonded in an L-shaped 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 a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar 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(2), and one C(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one V(1) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(4) atom. is represented by the CIF card [CIF]
data_LiV2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.733
_cell_length_b   8.145
_cell_length_c   6.506
_cell_angle_alpha   94.269
_cell_angle_beta   67.265
_cell_angle_gamma   105.340
_symmetry_Int_Tables_number   1
_cell_volume   270.044
_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  0.263  0.184  0.488  1.0
  V  V1  1  0.094  1.000  0.980  1.0
  V  V2  1  0.865  0.498  0.516  1.0
  C  C3  1  0.004  0.784  0.631  1.0
  C  C4  1  0.024  0.720  0.121  1.0
  C  C5  1  0.420  0.276  0.882  1.0
  C  C6  1  0.833  0.209  0.346  1.0
  O  O7  1  0.095  0.943  0.684  1.0
  O  O8  1  0.240  0.847  0.077  1.0
  O  O9  1  0.132  0.670  0.608  1.0
  O  O10  1  0.794  0.742  0.592  1.0
  O  O11  1  0.847  0.762  0.077  1.0
  O  O12  1  0.004  0.577  0.200  1.0
  O  O13  1  0.607  0.409  0.818  1.0
  O  O14  1  0.221  0.236  0.820  1.0
  O  O15  1  0.017  0.283  0.418  1.0
  O  O16  1  0.643  0.280  0.396  1.0
  O  O17  1  0.409  0.159  0.016  1.0
  O  O18  1  0.837  0.071  0.234  1.0
[/CIF]
.