The material described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with five equivalent V(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with five equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-49°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), one V(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one V(2), and two equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form edge-sharing OLi3V3 octahedra. is represented by the CIF card [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.952
_cell_length_b   2.977
_cell_length_c   10.097
_cell_angle_alpha   89.968
_cell_angle_beta   89.935
_cell_angle_gamma   60.273
_symmetry_Int_Tables_number   1
_cell_volume   77.047
_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  0.666  0.671  0.760  1.0
  Li  Li1  1  0.336  0.329  0.260  1.0
  O  O2  1  0.677  0.645  0.113  1.0
  O  O3  1  0.322  0.355  0.613  1.0
  O  O4  1  0.992  0.016  0.886  1.0
  O  O5  1  0.008  0.984  0.386  1.0
  V  V6  1  0.665  0.669  0.500  1.0
  V  V7  1  0.334  0.331  0.000  1.0
[/CIF]
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The material described by LiVO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with five equivalent V(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with five equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-49°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-49°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), one V(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one V(2), and two equivalent V(1) atoms to form edge-sharing OLi3V3 octahedra. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form edge-sharing OLi3V3 octahedra. is represented by the CIF card [CIF]
data_LiVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.952
_cell_length_b   2.977
_cell_length_c   10.097
_cell_angle_alpha   89.968
_cell_angle_beta   89.935
_cell_angle_gamma   60.273
_symmetry_Int_Tables_number   1
_cell_volume   77.047
_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  0.666  0.671  0.760  1.0
  Li  Li1  1  0.336  0.329  0.260  1.0
  O  O2  1  0.677  0.645  0.113  1.0
  O  O3  1  0.322  0.355  0.613  1.0
  O  O4  1  0.992  0.016  0.886  1.0
  O  O5  1  0.008  0.984  0.386  1.0
  V  V6  1  0.665  0.669  0.500  1.0
  V  V7  1  0.334  0.331  0.000  1.0
[/CIF]
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