The compound described by Li9V3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent W(3)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. There are three inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second W site, W(1) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share edges with two equivalent V(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. In the third W site, W(3) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one V(1), one W(2), and two equivalent W(1) atoms to form distorted edge-sharing OLi2VW3 octahedra. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one W(3) atom. In the fourth O site, O(7) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent W(1) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(3) atom. In the sixth O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(1) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one V(1), and one W(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9V3(WO4)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.551
_cell_length_b   8.551
_cell_length_c   8.551
_cell_angle_alpha   89.879
_cell_angle_beta   89.879
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   625.332
_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  0.907  0.358  0.645  1.0
  Li  Li1  1  0.907  0.645  0.358  1.0
  Li  Li2  1  0.645  0.358  0.907  1.0
  Li  Li3  1  0.645  0.907  0.358  1.0
  Li  Li4  1  0.352  0.090  0.352  1.0
  Li  Li5  1  0.352  0.352  0.090  1.0
  Li  Li6  1  0.358  0.645  0.907  1.0
  Li  Li7  1  0.358  0.907  0.645  1.0
  Li  Li8  1  0.090  0.352  0.352  1.0
  V  V9  1  0.633  0.115  0.633  1.0
  V  V10  1  0.633  0.633  0.115  1.0
  V  V11  1  0.115  0.633  0.633  1.0
  W  W12  1  0.643  0.358  0.358  1.0
  W  W13  1  0.652  0.652  0.652  1.0
  W  W14  1  0.358  0.358  0.643  1.0
  W  W15  1  0.358  0.643  0.358  1.0
  W  W16  1  1.000  1.000  0.498  1.0
  W  W17  1  1.000  0.498  1.000  1.0
  W  W18  1  0.498  1.000  1.000  1.0
  O  O19  1  0.852  0.383  0.383  1.0
  O  O20  1  0.867  0.616  0.616  1.0
  O  O21  1  0.877  0.125  0.622  1.0
  O  O22  1  0.877  0.622  0.125  1.0
  O  O23  1  0.878  0.376  0.878  1.0
  O  O24  1  0.878  0.878  0.376  1.0
  O  O25  1  0.622  0.125  0.877  1.0
  O  O26  1  0.622  0.877  0.125  1.0
  O  O27  1  0.610  0.381  0.610  1.0
  O  O28  1  0.610  0.610  0.381  1.0
  O  O29  1  0.616  0.145  0.380  1.0
  O  O30  1  0.616  0.380  0.145  1.0
  O  O31  1  0.616  0.616  0.867  1.0
  O  O32  1  0.616  0.867  0.616  1.0
  O  O33  1  0.380  0.145  0.616  1.0
  O  O34  1  0.380  0.616  0.145  1.0
  O  O35  1  0.383  0.383  0.852  1.0
  O  O36  1  0.383  0.852  0.383  1.0
  O  O37  1  0.394  0.394  0.394  1.0
  O  O38  1  0.381  0.610  0.610  1.0
  O  O39  1  0.378  0.123  0.123  1.0
  O  O40  1  0.376  0.878  0.878  1.0
  O  O41  1  0.123  0.123  0.378  1.0
  O  O42  1  0.123  0.378  0.123  1.0
  O  O43  1  0.125  0.622  0.877  1.0
  O  O44  1  0.125  0.877  0.622  1.0
  O  O45  1  0.145  0.380  0.616  1.0
  O  O46  1  0.145  0.616  0.380  1.0
[/CIF]
.
The compound described by Li9V3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. V(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent W(3)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. There are three inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second W site, W(1) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share edges with two equivalent V(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. In the third W site, W(3) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one V(1), one W(2), and two equivalent W(1) atoms to form distorted edge-sharing OLi2VW3 octahedra. In the second O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one W(3) atom. In the fourth O site, O(7) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent W(1) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(3) atom. In the sixth O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(1) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one V(1), and one W(2) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9V3(WO4)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.551
_cell_length_b   8.551
_cell_length_c   8.551
_cell_angle_alpha   89.879
_cell_angle_beta   89.879
_cell_angle_gamma   89.879
_symmetry_Int_Tables_number   1
_cell_volume   625.332
_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  0.907  0.358  0.645  1.0
  Li  Li1  1  0.907  0.645  0.358  1.0
  Li  Li2  1  0.645  0.358  0.907  1.0
  Li  Li3  1  0.645  0.907  0.358  1.0
  Li  Li4  1  0.352  0.090  0.352  1.0
  Li  Li5  1  0.352  0.352  0.090  1.0
  Li  Li6  1  0.358  0.645  0.907  1.0
  Li  Li7  1  0.358  0.907  0.645  1.0
  Li  Li8  1  0.090  0.352  0.352  1.0
  V  V9  1  0.633  0.115  0.633  1.0
  V  V10  1  0.633  0.633  0.115  1.0
  V  V11  1  0.115  0.633  0.633  1.0
  W  W12  1  0.643  0.358  0.358  1.0
  W  W13  1  0.652  0.652  0.652  1.0
  W  W14  1  0.358  0.358  0.643  1.0
  W  W15  1  0.358  0.643  0.358  1.0
  W  W16  1  1.000  1.000  0.498  1.0
  W  W17  1  1.000  0.498  1.000  1.0
  W  W18  1  0.498  1.000  1.000  1.0
  O  O19  1  0.852  0.383  0.383  1.0
  O  O20  1  0.867  0.616  0.616  1.0
  O  O21  1  0.877  0.125  0.622  1.0
  O  O22  1  0.877  0.622  0.125  1.0
  O  O23  1  0.878  0.376  0.878  1.0
  O  O24  1  0.878  0.878  0.376  1.0
  O  O25  1  0.622  0.125  0.877  1.0
  O  O26  1  0.622  0.877  0.125  1.0
  O  O27  1  0.610  0.381  0.610  1.0
  O  O28  1  0.610  0.610  0.381  1.0
  O  O29  1  0.616  0.145  0.380  1.0
  O  O30  1  0.616  0.380  0.145  1.0
  O  O31  1  0.616  0.616  0.867  1.0
  O  O32  1  0.616  0.867  0.616  1.0
  O  O33  1  0.380  0.145  0.616  1.0
  O  O34  1  0.380  0.616  0.145  1.0
  O  O35  1  0.383  0.383  0.852  1.0
  O  O36  1  0.383  0.852  0.383  1.0
  O  O37  1  0.394  0.394  0.394  1.0
  O  O38  1  0.381  0.610  0.610  1.0
  O  O39  1  0.378  0.123  0.123  1.0
  O  O40  1  0.376  0.878  0.878  1.0
  O  O41  1  0.123  0.123  0.378  1.0
  O  O42  1  0.123  0.378  0.123  1.0
  O  O43  1  0.125  0.622  0.877  1.0
  O  O44  1  0.125  0.877  0.622  1.0
  O  O45  1  0.145  0.380  0.616  1.0
  O  O46  1  0.145  0.616  0.380  1.0
[/CIF]
.