The material described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing LiO4 trigonal pyramids. V(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar 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 trigonal planar geometry to two equivalent Li(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.626
_cell_length_b   6.184
_cell_length_c   7.224
_cell_angle_alpha   101.397
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.568
_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  0.217  0.230  0.881  1.0
  C  C1  1  0.717  0.770  0.119  1.0
  C  C2  1  0.736  0.738  0.637  1.0
  C  C3  1  0.236  0.262  0.363  1.0
  Li  Li4  1  0.706  0.171  0.559  1.0
  Li  Li5  1  0.206  0.829  0.441  1.0
  O  O6  1  0.071  0.067  0.927  1.0
  O  O7  1  0.571  0.933  0.073  1.0
  O  O8  1  0.486  0.214  0.841  1.0
  O  O9  1  0.986  0.786  0.159  1.0
  O  O10  1  0.065  0.409  0.892  1.0
  O  O11  1  0.565  0.591  0.108  1.0
  O  O12  1  0.576  0.637  0.740  1.0
  O  O13  1  0.076  0.363  0.260  1.0
  O  O14  1  0.019  0.724  0.656  1.0
  O  O15  1  0.519  0.276  0.344  1.0
  O  O16  1  0.632  0.844  0.518  1.0
  O  O17  1  0.132  0.156  0.482  1.0
  V  V18  1  0.238  0.731  0.909  1.0
  V  V19  1  0.738  0.269  0.091  1.0
[/CIF]
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The material described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form distorted corner-sharing LiO4 trigonal pyramids. V(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent V(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar 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 trigonal planar geometry to two equivalent Li(1) and one C(2) atom. is represented by the CIF file [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.626
_cell_length_b   6.184
_cell_length_c   7.224
_cell_angle_alpha   101.397
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.568
_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  0.217  0.230  0.881  1.0
  C  C1  1  0.717  0.770  0.119  1.0
  C  C2  1  0.736  0.738  0.637  1.0
  C  C3  1  0.236  0.262  0.363  1.0
  Li  Li4  1  0.706  0.171  0.559  1.0
  Li  Li5  1  0.206  0.829  0.441  1.0
  O  O6  1  0.071  0.067  0.927  1.0
  O  O7  1  0.571  0.933  0.073  1.0
  O  O8  1  0.486  0.214  0.841  1.0
  O  O9  1  0.986  0.786  0.159  1.0
  O  O10  1  0.065  0.409  0.892  1.0
  O  O11  1  0.565  0.591  0.108  1.0
  O  O12  1  0.576  0.637  0.740  1.0
  O  O13  1  0.076  0.363  0.260  1.0
  O  O14  1  0.019  0.724  0.656  1.0
  O  O15  1  0.519  0.276  0.344  1.0
  O  O16  1  0.632  0.844  0.518  1.0
  O  O17  1  0.132  0.156  0.482  1.0
  V  V18  1  0.238  0.731  0.909  1.0
  V  V19  1  0.738  0.269  0.091  1.0
[/CIF]
.