The compound described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 61°. 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 trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 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 distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted 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 V(1) and one C(2) 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   7.427
_cell_length_b   4.761
_cell_length_c   6.205
_cell_angle_alpha   90.000
_cell_angle_beta   107.637
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.106
_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  0.070  0.028  0.182  1.0
  Li  Li1  1  0.930  0.528  0.818  1.0
  V  V2  1  0.384  0.505  0.761  1.0
  V  V3  1  0.616  0.005  0.239  1.0
  C  C4  1  0.137  0.024  0.760  1.0
  C  C5  1  0.385  0.459  0.248  1.0
  C  C6  1  0.615  0.959  0.752  1.0
  C  C7  1  0.863  0.524  0.240  1.0
  O  O8  1  0.030  0.918  0.862  1.0
  O  O9  1  0.145  0.305  0.743  1.0
  O  O10  1  0.239  0.880  0.665  1.0
  O  O11  1  0.363  0.553  0.428  1.0
  O  O12  1  0.364  0.194  0.195  1.0
  O  O13  1  0.573  0.134  0.895  1.0
  O  O14  1  0.427  0.634  0.105  1.0
  O  O15  1  0.636  0.694  0.805  1.0
  O  O16  1  0.637  0.053  0.572  1.0
  O  O17  1  0.761  0.380  0.335  1.0
  O  O18  1  0.855  0.805  0.257  1.0
  O  O19  1  0.970  0.418  0.138  1.0
[/CIF]
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The compound described by LiV(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 61°. 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 trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 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 distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted 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 V(1) and one C(2) 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   7.427
_cell_length_b   4.761
_cell_length_c   6.205
_cell_angle_alpha   90.000
_cell_angle_beta   107.637
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.106
_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  0.070  0.028  0.182  1.0
  Li  Li1  1  0.930  0.528  0.818  1.0
  V  V2  1  0.384  0.505  0.761  1.0
  V  V3  1  0.616  0.005  0.239  1.0
  C  C4  1  0.137  0.024  0.760  1.0
  C  C5  1  0.385  0.459  0.248  1.0
  C  C6  1  0.615  0.959  0.752  1.0
  C  C7  1  0.863  0.524  0.240  1.0
  O  O8  1  0.030  0.918  0.862  1.0
  O  O9  1  0.145  0.305  0.743  1.0
  O  O10  1  0.239  0.880  0.665  1.0
  O  O11  1  0.363  0.553  0.428  1.0
  O  O12  1  0.364  0.194  0.195  1.0
  O  O13  1  0.573  0.134  0.895  1.0
  O  O14  1  0.427  0.634  0.105  1.0
  O  O15  1  0.636  0.694  0.805  1.0
  O  O16  1  0.637  0.053  0.572  1.0
  O  O17  1  0.761  0.380  0.335  1.0
  O  O18  1  0.855  0.805  0.257  1.0
  O  O19  1  0.970  0.418  0.138  1.0
[/CIF]
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