The structure described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-69°. In the second Li site, Li(2) is bonded to one O(11), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-70°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. 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(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(9) 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(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to 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(2) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one V(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one C(4) atom. is represented by the CIF card [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.957
_cell_length_b   6.533
_cell_length_c   7.966
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   67.817
_symmetry_Int_Tables_number   1
_cell_volume   238.880
_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
  C  C0  1  0.114  0.137  0.737  1.0
  C  C1  1  0.886  0.363  0.237  1.0
  C  C2  1  0.133  0.649  0.758  1.0
  C  C3  1  0.867  0.851  0.258  1.0
  Li  Li4  1  0.651  0.615  0.951  1.0
  Li  Li5  1  0.349  0.885  0.451  1.0
  O  O6  1  0.863  0.123  0.757  1.0
  O  O7  1  0.137  0.378  0.257  1.0
  O  O8  1  0.283  0.098  0.867  1.0
  O  O9  1  0.717  0.402  0.366  1.0
  O  O10  1  0.198  0.179  0.589  1.0
  O  O11  1  0.802  0.321  0.089  1.0
  O  O12  1  0.902  0.601  0.752  1.0
  O  O13  1  0.098  0.899  0.252  1.0
  O  O14  1  0.275  0.628  0.617  1.0
  O  O15  1  0.725  0.871  0.117  1.0
  O  O16  1  0.222  0.707  0.897  1.0
  O  O17  1  0.778  0.793  0.397  1.0
  V  V18  1  0.984  0.016  1.000  1.0
  V  V19  1  0.016  0.484  0.499  1.0
[/CIF]
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The structure described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-69°. In the second Li site, Li(2) is bonded to one O(11), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-70°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. 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(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(9) 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(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to 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(2) and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one V(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one C(4) atom. is represented by the CIF card [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.957
_cell_length_b   6.533
_cell_length_c   7.966
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   67.817
_symmetry_Int_Tables_number   1
_cell_volume   238.880
_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
  C  C0  1  0.114  0.137  0.737  1.0
  C  C1  1  0.886  0.363  0.237  1.0
  C  C2  1  0.133  0.649  0.758  1.0
  C  C3  1  0.867  0.851  0.258  1.0
  Li  Li4  1  0.651  0.615  0.951  1.0
  Li  Li5  1  0.349  0.885  0.451  1.0
  O  O6  1  0.863  0.123  0.757  1.0
  O  O7  1  0.137  0.378  0.257  1.0
  O  O8  1  0.283  0.098  0.867  1.0
  O  O9  1  0.717  0.402  0.366  1.0
  O  O10  1  0.198  0.179  0.589  1.0
  O  O11  1  0.802  0.321  0.089  1.0
  O  O12  1  0.902  0.601  0.752  1.0
  O  O13  1  0.098  0.899  0.252  1.0
  O  O14  1  0.275  0.628  0.617  1.0
  O  O15  1  0.725  0.871  0.117  1.0
  O  O16  1  0.222  0.707  0.897  1.0
  O  O17  1  0.778  0.793  0.397  1.0
  V  V18  1  0.984  0.016  1.000  1.0
  V  V19  1  0.016  0.484  0.499  1.0
[/CIF]
.