The crystal structure described by LiV(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. 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 eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_LiV(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   7.467
_cell_length_c   7.467
_cell_angle_alpha   101.492
_cell_angle_beta   90.616
_cell_angle_gamma   90.614
_symmetry_Int_Tables_number   1
_cell_volume   274.922
_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  0.750  0.338  0.662  1.0
  Li  Li1  1  0.250  0.662  0.338  1.0
  V  V2  1  0.750  0.826  0.174  1.0
  V  V3  1  0.250  0.174  0.826  1.0
  W  W4  1  0.242  0.662  0.836  1.0
  W  W5  1  0.742  0.836  0.662  1.0
  W  W6  1  0.758  0.338  0.164  1.0
  W  W7  1  0.258  0.164  0.338  1.0
  O  O8  1  0.409  0.701  0.061  1.0
  O  O9  1  0.591  0.299  0.939  1.0
  O  O10  1  0.091  0.939  0.299  1.0
  O  O11  1  0.909  0.061  0.701  1.0
  O  O12  1  0.917  0.802  0.922  1.0
  O  O13  1  0.083  0.198  0.078  1.0
  O  O14  1  0.583  0.078  0.198  1.0
  O  O15  1  0.417  0.922  0.802  1.0
  O  O16  1  0.892  0.571  0.184  1.0
  O  O17  1  0.108  0.429  0.816  1.0
  O  O18  1  0.608  0.816  0.429  1.0
  O  O19  1  0.392  0.184  0.571  1.0
  O  O20  1  0.555  0.597  0.695  1.0
  O  O21  1  0.445  0.404  0.306  1.0
  O  O22  1  0.945  0.306  0.404  1.0
  O  O23  1  0.055  0.695  0.597  1.0
[/CIF]
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The crystal structure described by LiV(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. 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 eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_LiV(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   7.467
_cell_length_c   7.467
_cell_angle_alpha   101.492
_cell_angle_beta   90.616
_cell_angle_gamma   90.614
_symmetry_Int_Tables_number   1
_cell_volume   274.922
_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  0.750  0.338  0.662  1.0
  Li  Li1  1  0.250  0.662  0.338  1.0
  V  V2  1  0.750  0.826  0.174  1.0
  V  V3  1  0.250  0.174  0.826  1.0
  W  W4  1  0.242  0.662  0.836  1.0
  W  W5  1  0.742  0.836  0.662  1.0
  W  W6  1  0.758  0.338  0.164  1.0
  W  W7  1  0.258  0.164  0.338  1.0
  O  O8  1  0.409  0.701  0.061  1.0
  O  O9  1  0.591  0.299  0.939  1.0
  O  O10  1  0.091  0.939  0.299  1.0
  O  O11  1  0.909  0.061  0.701  1.0
  O  O12  1  0.917  0.802  0.922  1.0
  O  O13  1  0.083  0.198  0.078  1.0
  O  O14  1  0.583  0.078  0.198  1.0
  O  O15  1  0.417  0.922  0.802  1.0
  O  O16  1  0.892  0.571  0.184  1.0
  O  O17  1  0.108  0.429  0.816  1.0
  O  O18  1  0.608  0.816  0.429  1.0
  O  O19  1  0.392  0.184  0.571  1.0
  O  O20  1  0.555  0.597  0.695  1.0
  O  O21  1  0.445  0.404  0.306  1.0
  O  O22  1  0.945  0.306  0.404  1.0
  O  O23  1  0.055  0.695  0.597  1.0
[/CIF]
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