The material described by LiNbWO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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 one Li(1), one Nb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_LiNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   5.508
_cell_length_c   5.508
_cell_angle_alpha   57.307
_cell_angle_beta   57.307
_cell_angle_gamma   57.307
_symmetry_Int_Tables_number   1
_cell_volume   110.805
_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  0.785  0.785  0.785  1.0
  Nb  Nb1  1  0.516  0.516  0.516  1.0
  W  W2  1  0.014  0.014  0.014  1.0
  O  O3  1  0.674  0.843  0.241  1.0
  O  O4  1  0.241  0.674  0.843  1.0
  O  O5  1  0.843  0.241  0.674  1.0
  O  O6  1  0.759  0.365  0.131  1.0
  O  O7  1  0.131  0.759  0.365  1.0
  O  O8  1  0.365  0.131  0.759  1.0
[/CIF]
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The material described by LiNbWO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped 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 one Li(1), one Nb(1), and one W(1) atom. is represented by the CIF card [CIF]
data_LiNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.508
_cell_length_b   5.508
_cell_length_c   5.508
_cell_angle_alpha   57.307
_cell_angle_beta   57.307
_cell_angle_gamma   57.307
_symmetry_Int_Tables_number   1
_cell_volume   110.805
_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  0.785  0.785  0.785  1.0
  Nb  Nb1  1  0.516  0.516  0.516  1.0
  W  W2  1  0.014  0.014  0.014  1.0
  O  O3  1  0.674  0.843  0.241  1.0
  O  O4  1  0.241  0.674  0.843  1.0
  O  O5  1  0.843  0.241  0.674  1.0
  O  O6  1  0.759  0.365  0.131  1.0
  O  O7  1  0.131  0.759  0.365  1.0
  O  O8  1  0.365  0.131  0.759  1.0
[/CIF]
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