The structure described by LiW3O9F crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(9), and one F(1) atom. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent W(3)O5F octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent W(3)O5F octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. In the third W site, W(3) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form corner-sharing WO5F octahedra. The corner-sharing octahedral tilt angles range from 3-34°. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a linear geometry to one Li(1) and one W(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(3) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the sixth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the seventh O site, O(6) is bonded in a linear geometry to one W(1) and one W(3) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(3) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. F(1) is bonded in a linear geometry to one Li(1) and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiW3O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.492
_cell_length_c   8.535
_cell_angle_alpha   77.408
_cell_angle_beta   77.408
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   373.289
_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  0.055  0.804  0.500  1.0
  Li  Li1  1  0.804  0.055  0.000  1.0
  W  W2  1  0.483  0.233  0.487  1.0
  W  W3  1  0.233  0.483  0.987  1.0
  W  W4  1  0.740  0.490  0.972  1.0
  W  W5  1  0.227  0.978  0.995  1.0
  W  W6  1  0.490  0.740  0.472  1.0
  W  W7  1  0.978  0.227  0.495  1.0
  O  O8  1  0.930  0.388  0.002  1.0
  O  O9  1  0.134  0.176  0.009  1.0
  O  O10  1  0.388  0.930  0.502  1.0
  O  O11  1  0.176  0.134  0.509  1.0
  O  O12  1  0.754  0.932  0.511  1.0
  O  O13  1  0.186  0.507  0.502  1.0
  O  O14  1  0.932  0.754  0.011  1.0
  O  O15  1  0.507  0.186  0.002  1.0
  O  O16  1  0.595  0.343  0.252  1.0
  O  O17  1  0.341  0.092  0.756  1.0
  O  O18  1  0.343  0.595  0.752  1.0
  O  O19  1  0.092  0.341  0.256  1.0
  O  O20  1  0.754  0.290  0.511  1.0
  O  O21  1  0.544  0.508  0.501  1.0
  O  O22  1  0.290  0.754  0.011  1.0
  O  O23  1  0.508  0.544  0.001  1.0
  O  O24  1  0.858  0.609  0.743  1.0
  O  O25  1  0.609  0.858  0.243  1.0
  F  F26  1  0.101  0.849  0.258  1.0
  F  F27  1  0.849  0.101  0.758  1.0
[/CIF]
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The structure described by LiW3O9F crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(9), and one F(1) atom. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent W(3)O5F octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent W(3)O5F octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-35°. In the third W site, W(3) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one F(1) atom to form corner-sharing WO5F octahedra. The corner-sharing octahedral tilt angles range from 3-34°. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a linear geometry to one Li(1) and one W(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(3) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the sixth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the seventh O site, O(6) is bonded in a linear geometry to one W(1) and one W(3) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(3) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. F(1) is bonded in a linear geometry to one Li(1) and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiW3O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.492
_cell_length_c   8.535
_cell_angle_alpha   77.408
_cell_angle_beta   77.408
_cell_angle_gamma   120.013
_symmetry_Int_Tables_number   1
_cell_volume   373.289
_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  0.055  0.804  0.500  1.0
  Li  Li1  1  0.804  0.055  0.000  1.0
  W  W2  1  0.483  0.233  0.487  1.0
  W  W3  1  0.233  0.483  0.987  1.0
  W  W4  1  0.740  0.490  0.972  1.0
  W  W5  1  0.227  0.978  0.995  1.0
  W  W6  1  0.490  0.740  0.472  1.0
  W  W7  1  0.978  0.227  0.495  1.0
  O  O8  1  0.930  0.388  0.002  1.0
  O  O9  1  0.134  0.176  0.009  1.0
  O  O10  1  0.388  0.930  0.502  1.0
  O  O11  1  0.176  0.134  0.509  1.0
  O  O12  1  0.754  0.932  0.511  1.0
  O  O13  1  0.186  0.507  0.502  1.0
  O  O14  1  0.932  0.754  0.011  1.0
  O  O15  1  0.507  0.186  0.002  1.0
  O  O16  1  0.595  0.343  0.252  1.0
  O  O17  1  0.341  0.092  0.756  1.0
  O  O18  1  0.343  0.595  0.752  1.0
  O  O19  1  0.092  0.341  0.256  1.0
  O  O20  1  0.754  0.290  0.511  1.0
  O  O21  1  0.544  0.508  0.501  1.0
  O  O22  1  0.290  0.754  0.011  1.0
  O  O23  1  0.508  0.544  0.001  1.0
  O  O24  1  0.858  0.609  0.743  1.0
  O  O25  1  0.609  0.858  0.243  1.0
  F  F26  1  0.101  0.849  0.258  1.0
  F  F27  1  0.849  0.101  0.758  1.0
[/CIF]
.