The material described by LiV(CO3)2 is Calcite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.410
_cell_length_b   5.929
_cell_length_c   7.670
_cell_angle_alpha   89.994
_cell_angle_beta   91.415
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   200.482
_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  0.996  0.863  0.754  1.0
  C  C1  1  0.504  0.363  0.746  1.0
  C  C2  1  0.496  0.637  0.254  1.0
  C  C3  1  0.004  0.137  0.246  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.765  0.553  0.261  1.0
  O  O7  1  0.735  0.053  0.238  1.0
  O  O8  1  0.265  0.947  0.762  1.0
  O  O9  1  0.235  0.447  0.739  1.0
  O  O10  1  0.872  0.803  0.606  1.0
  O  O11  1  0.627  0.303  0.894  1.0
  O  O12  1  0.373  0.697  0.106  1.0
  O  O13  1  0.128  0.197  0.394  1.0
  O  O14  1  0.848  0.830  0.897  1.0
  O  O15  1  0.652  0.330  0.603  1.0
  O  O16  1  0.349  0.670  0.397  1.0
  O  O17  1  0.152  0.170  0.103  1.0
  V  V18  1  1.000  0.500  0.500  1.0
  V  V19  1  0.500  1.000  1.000  1.0
[/CIF]
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The material described by LiV(CO3)2 is Calcite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.410
_cell_length_b   5.929
_cell_length_c   7.670
_cell_angle_alpha   89.994
_cell_angle_beta   91.415
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   200.482
_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  0.996  0.863  0.754  1.0
  C  C1  1  0.504  0.363  0.746  1.0
  C  C2  1  0.496  0.637  0.254  1.0
  C  C3  1  0.004  0.137  0.246  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.765  0.553  0.261  1.0
  O  O7  1  0.735  0.053  0.238  1.0
  O  O8  1  0.265  0.947  0.762  1.0
  O  O9  1  0.235  0.447  0.739  1.0
  O  O10  1  0.872  0.803  0.606  1.0
  O  O11  1  0.627  0.303  0.894  1.0
  O  O12  1  0.373  0.697  0.106  1.0
  O  O13  1  0.128  0.197  0.394  1.0
  O  O14  1  0.848  0.830  0.897  1.0
  O  O15  1  0.652  0.330  0.603  1.0
  O  O16  1  0.349  0.670  0.397  1.0
  O  O17  1  0.152  0.170  0.103  1.0
  V  V18  1  1.000  0.500  0.500  1.0
  V  V19  1  0.500  1.000  1.000  1.0
[/CIF]
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