The compound described by LiV(CO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(6), and one O(8) 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(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the second V site, V(2) is bonded to one O(10), one O(12), one O(6), one O(7), 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(6) 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(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(5) 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(2), 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(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one V(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.708
_cell_length_b   7.957
_cell_length_c   8.528
_cell_angle_alpha   100.695
_cell_angle_beta   103.098
_cell_angle_gamma   105.150
_symmetry_Int_Tables_number   1
_cell_volume   474.731
_cell_formula_units_Z   4
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  0.701  0.666  0.505  1.0
  Li  Li1  1  0.019  0.217  0.841  1.0
  Li  Li2  1  0.981  0.783  0.159  1.0
  Li  Li3  1  0.299  0.334  0.495  1.0
  V  V4  1  0.261  0.721  0.444  1.0
  V  V5  1  0.530  0.793  0.955  1.0
  V  V6  1  0.470  0.207  0.045  1.0
  V  V7  1  0.739  0.279  0.556  1.0
  C  C8  1  0.262  0.992  0.758  1.0
  C  C9  1  0.680  0.941  0.705  1.0
  C  C10  1  0.156  0.531  0.730  1.0
  C  C11  1  0.377  0.539  0.230  1.0
  C  C12  1  0.623  0.461  0.770  1.0
  C  C13  1  0.844  0.469  0.270  1.0
  C  C14  1  0.320  0.059  0.295  1.0
  C  C15  1  0.738  0.008  0.242  1.0
  O  O16  1  0.212  0.921  0.324  1.0
  O  O17  1  0.168  0.882  0.619  1.0
  O  O18  1  0.414  0.978  0.855  1.0
  O  O19  1  0.543  0.824  0.584  1.0
  O  O20  1  0.393  0.706  0.240  1.0
  O  O21  1  0.774  0.863  0.176  1.0
  O  O22  1  0.726  0.916  0.852  1.0
  O  O23  1  0.993  0.591  0.270  1.0
  O  O24  1  0.204  0.529  0.593  1.0
  O  O25  1  0.257  0.645  0.869  1.0
  O  O26  1  0.313  0.479  0.345  1.0
  O  O27  1  0.424  0.443  0.120  1.0
  O  O28  1  0.576  0.557  0.880  1.0
  O  O29  1  0.687  0.521  0.655  1.0
  O  O30  1  0.743  0.355  0.131  1.0
  O  O31  1  0.796  0.471  0.407  1.0
  O  O32  1  0.007  0.409  0.730  1.0
  O  O33  1  0.274  0.084  0.148  1.0
  O  O34  1  0.226  0.137  0.824  1.0
  O  O35  1  0.607  0.294  0.760  1.0
  O  O36  1  0.457  0.176  0.416  1.0
  O  O37  1  0.586  0.022  0.145  1.0
  O  O38  1  0.832  0.118  0.381  1.0
  O  O39  1  0.788  0.079  0.676  1.0
[/CIF]
.
The compound described by LiV(CO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(6), and one O(8) 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(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the second V site, V(2) is bonded to one O(10), one O(12), one O(6), one O(7), 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(6) 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(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(5) 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(2), 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(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one V(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one C(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.708
_cell_length_b   7.957
_cell_length_c   8.528
_cell_angle_alpha   100.695
_cell_angle_beta   103.098
_cell_angle_gamma   105.150
_symmetry_Int_Tables_number   1
_cell_volume   474.731
_cell_formula_units_Z   4
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  0.701  0.666  0.505  1.0
  Li  Li1  1  0.019  0.217  0.841  1.0
  Li  Li2  1  0.981  0.783  0.159  1.0
  Li  Li3  1  0.299  0.334  0.495  1.0
  V  V4  1  0.261  0.721  0.444  1.0
  V  V5  1  0.530  0.793  0.955  1.0
  V  V6  1  0.470  0.207  0.045  1.0
  V  V7  1  0.739  0.279  0.556  1.0
  C  C8  1  0.262  0.992  0.758  1.0
  C  C9  1  0.680  0.941  0.705  1.0
  C  C10  1  0.156  0.531  0.730  1.0
  C  C11  1  0.377  0.539  0.230  1.0
  C  C12  1  0.623  0.461  0.770  1.0
  C  C13  1  0.844  0.469  0.270  1.0
  C  C14  1  0.320  0.059  0.295  1.0
  C  C15  1  0.738  0.008  0.242  1.0
  O  O16  1  0.212  0.921  0.324  1.0
  O  O17  1  0.168  0.882  0.619  1.0
  O  O18  1  0.414  0.978  0.855  1.0
  O  O19  1  0.543  0.824  0.584  1.0
  O  O20  1  0.393  0.706  0.240  1.0
  O  O21  1  0.774  0.863  0.176  1.0
  O  O22  1  0.726  0.916  0.852  1.0
  O  O23  1  0.993  0.591  0.270  1.0
  O  O24  1  0.204  0.529  0.593  1.0
  O  O25  1  0.257  0.645  0.869  1.0
  O  O26  1  0.313  0.479  0.345  1.0
  O  O27  1  0.424  0.443  0.120  1.0
  O  O28  1  0.576  0.557  0.880  1.0
  O  O29  1  0.687  0.521  0.655  1.0
  O  O30  1  0.743  0.355  0.131  1.0
  O  O31  1  0.796  0.471  0.407  1.0
  O  O32  1  0.007  0.409  0.730  1.0
  O  O33  1  0.274  0.084  0.148  1.0
  O  O34  1  0.226  0.137  0.824  1.0
  O  O35  1  0.607  0.294  0.760  1.0
  O  O36  1  0.457  0.176  0.416  1.0
  O  O37  1  0.586  0.022  0.145  1.0
  O  O38  1  0.832  0.118  0.381  1.0
  O  O39  1  0.788  0.079  0.676  1.0
[/CIF]
.