The material structure described by LiNbWO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P-42_1m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.775
_cell_length_b   4.775
_cell_length_c   9.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.044
_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  0.000  0.500  0.425  1.0
  Li  Li1  1  0.500  0.000  0.575  1.0
  Nb  Nb2  1  0.000  0.500  0.092  1.0
  Nb  Nb3  1  0.500  0.000  0.908  1.0
  W  W4  1  0.500  0.000  0.266  1.0
  W  W5  1  0.000  0.500  0.734  1.0
  O  O6  1  0.288  0.788  0.773  1.0
  O  O7  1  0.700  0.200  0.391  1.0
  O  O8  1  0.200  0.300  0.609  1.0
  O  O9  1  0.800  0.700  0.609  1.0
  O  O10  1  0.712  0.212  0.773  1.0
  O  O11  1  0.788  0.712  0.227  1.0
  O  O12  1  0.212  0.288  0.227  1.0
  O  O13  1  0.305  0.805  0.080  1.0
  O  O14  1  0.695  0.195  0.080  1.0
  O  O15  1  0.805  0.695  0.920  1.0
  O  O16  1  0.195  0.305  0.920  1.0
  O  O17  1  0.300  0.800  0.391  1.0
[/CIF]
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The material structure described by LiNbWO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P-42_1m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.775
_cell_length_b   4.775
_cell_length_c   9.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.044
_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  0.000  0.500  0.425  1.0
  Li  Li1  1  0.500  0.000  0.575  1.0
  Nb  Nb2  1  0.000  0.500  0.092  1.0
  Nb  Nb3  1  0.500  0.000  0.908  1.0
  W  W4  1  0.500  0.000  0.266  1.0
  W  W5  1  0.000  0.500  0.734  1.0
  O  O6  1  0.288  0.788  0.773  1.0
  O  O7  1  0.700  0.200  0.391  1.0
  O  O8  1  0.200  0.300  0.609  1.0
  O  O9  1  0.800  0.700  0.609  1.0
  O  O10  1  0.712  0.212  0.773  1.0
  O  O11  1  0.788  0.712  0.227  1.0
  O  O12  1  0.212  0.288  0.227  1.0
  O  O13  1  0.305  0.805  0.080  1.0
  O  O14  1  0.695  0.195  0.080  1.0
  O  O15  1  0.805  0.695  0.920  1.0
  O  O16  1  0.195  0.305  0.920  1.0
  O  O17  1  0.300  0.800  0.391  1.0
[/CIF]
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