The compound described by LiVO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   82.979
_cell_angle_beta   67.982
_cell_angle_gamma   67.982
_symmetry_Int_Tables_number   1
_cell_volume   272.339
_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  0.759  0.309  0.674  1.0
  Li  Li1  1  0.259  0.674  0.309  1.0
  Li  Li2  1  0.760  0.675  0.305  1.0
  Li  Li3  1  0.260  0.305  0.675  1.0
  V  V4  1  0.717  0.878  0.690  1.0
  V  V5  1  0.295  0.104  0.291  1.0
  V  V6  1  0.795  0.291  0.104  1.0
  V  V7  1  0.217  0.690  0.878  1.0
  O  O8  1  0.888  0.355  0.873  1.0
  O  O9  1  0.632  0.109  0.626  1.0
  O  O10  1  0.132  0.626  0.109  1.0
  O  O11  1  0.131  0.252  0.484  1.0
  O  O12  1  0.088  0.139  0.154  1.0
  O  O13  1  0.631  0.484  0.252  1.0
  O  O14  1  0.388  0.873  0.355  1.0
  O  O15  1  0.386  0.497  0.729  1.0
  O  O16  1  0.418  0.834  0.837  1.0
  O  O17  1  0.886  0.729  0.497  1.0
  O  O18  1  0.588  0.154  0.139  1.0
  O  O19  1  0.918  0.837  0.834  1.0
[/CIF]
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The compound described by LiVO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   7.464
_cell_length_c   7.464
_cell_angle_alpha   82.979
_cell_angle_beta   67.982
_cell_angle_gamma   67.982
_symmetry_Int_Tables_number   1
_cell_volume   272.339
_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  0.759  0.309  0.674  1.0
  Li  Li1  1  0.259  0.674  0.309  1.0
  Li  Li2  1  0.760  0.675  0.305  1.0
  Li  Li3  1  0.260  0.305  0.675  1.0
  V  V4  1  0.717  0.878  0.690  1.0
  V  V5  1  0.295  0.104  0.291  1.0
  V  V6  1  0.795  0.291  0.104  1.0
  V  V7  1  0.217  0.690  0.878  1.0
  O  O8  1  0.888  0.355  0.873  1.0
  O  O9  1  0.632  0.109  0.626  1.0
  O  O10  1  0.132  0.626  0.109  1.0
  O  O11  1  0.131  0.252  0.484  1.0
  O  O12  1  0.088  0.139  0.154  1.0
  O  O13  1  0.631  0.484  0.252  1.0
  O  O14  1  0.388  0.873  0.355  1.0
  O  O15  1  0.386  0.497  0.729  1.0
  O  O16  1  0.418  0.834  0.837  1.0
  O  O17  1  0.886  0.729  0.497  1.0
  O  O18  1  0.588  0.154  0.139  1.0
  O  O19  1  0.918  0.837  0.834  1.0
[/CIF]
.