The structure described by LiV(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. is represented by the CIF file [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   5.768
_cell_angle_alpha   48.006
_cell_angle_beta   48.006
_cell_angle_gamma   48.006
_symmetry_Int_Tables_number   1
_cell_volume   97.107
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.245  0.245  0.245  1.0
  C  C3  1  0.755  0.755  0.755  1.0
  O  O4  1  0.742  0.037  0.485  1.0
  O  O5  1  0.963  0.515  0.258  1.0
  O  O6  1  0.515  0.258  0.963  1.0
  O  O7  1  0.485  0.742  0.037  1.0
  O  O8  1  0.037  0.485  0.742  1.0
  O  O9  1  0.258  0.963  0.515  1.0
[/CIF]
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The structure described by LiV(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. C(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. is represented by the CIF file [CIF]
data_LiV(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   5.768
_cell_angle_alpha   48.006
_cell_angle_beta   48.006
_cell_angle_gamma   48.006
_symmetry_Int_Tables_number   1
_cell_volume   97.107
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.245  0.245  0.245  1.0
  C  C3  1  0.755  0.755  0.755  1.0
  O  O4  1  0.742  0.037  0.485  1.0
  O  O5  1  0.963  0.515  0.258  1.0
  O  O6  1  0.515  0.258  0.963  1.0
  O  O7  1  0.485  0.742  0.037  1.0
  O  O8  1  0.037  0.485  0.742  1.0
  O  O9  1  0.258  0.963  0.515  1.0
[/CIF]
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