The crystal structure described by Li2W(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with six equivalent W(1)O2F4 octahedra and edges with two equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. W(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted WO2F4 octahedra that share corners with six equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. is represented by the CIF card [CIF]
data_Li2W(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   5.101
_cell_length_c   17.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.755
_cell_formula_units_Z   4
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  0.750  0.232  1.0
  Li  Li1  1  0.000  0.250  0.450  1.0
  Li  Li2  1  0.000  0.750  0.550  1.0
  Li  Li3  1  0.000  0.250  0.768  1.0
  Li  Li4  1  0.500  0.250  0.268  1.0
  Li  Li5  1  0.500  0.250  0.950  1.0
  Li  Li6  1  0.500  0.750  0.050  1.0
  Li  Li7  1  0.500  0.750  0.732  1.0
  W  W8  1  0.000  0.250  0.107  1.0
  W  W9  1  0.000  0.750  0.893  1.0
  W  W10  1  0.500  0.750  0.393  1.0
  W  W11  1  0.500  0.250  0.607  1.0
  O  O12  1  0.247  0.103  0.044  1.0
  O  O13  1  0.247  0.603  0.956  1.0
  O  O14  1  0.253  0.603  0.456  1.0
  O  O15  1  0.253  0.103  0.544  1.0
  O  O16  1  0.747  0.397  0.544  1.0
  O  O17  1  0.747  0.897  0.456  1.0
  O  O18  1  0.753  0.397  0.044  1.0
  O  O19  1  0.753  0.897  0.956  1.0
  F  F20  1  0.212  0.093  0.201  1.0
  F  F21  1  0.212  0.593  0.799  1.0
  F  F22  1  0.226  0.064  0.873  1.0
  F  F23  1  0.226  0.564  0.127  1.0
  F  F24  1  0.274  0.564  0.627  1.0
  F  F25  1  0.274  0.064  0.373  1.0
  F  F26  1  0.288  0.093  0.701  1.0
  F  F27  1  0.288  0.593  0.299  1.0
  F  F28  1  0.712  0.907  0.299  1.0
  F  F29  1  0.712  0.407  0.701  1.0
  F  F30  1  0.726  0.436  0.373  1.0
  F  F31  1  0.726  0.936  0.627  1.0
  F  F32  1  0.774  0.936  0.127  1.0
  F  F33  1  0.774  0.436  0.873  1.0
  F  F34  1  0.788  0.907  0.799  1.0
  F  F35  1  0.788  0.407  0.201  1.0
[/CIF]
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The crystal structure described by Li2W(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with six equivalent W(1)O2F4 octahedra and edges with two equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. W(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted WO2F4 octahedra that share corners with six equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. is represented by the CIF card [CIF]
data_Li2W(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   5.101
_cell_length_c   17.413
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   422.755
_cell_formula_units_Z   4
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  0.750  0.232  1.0
  Li  Li1  1  0.000  0.250  0.450  1.0
  Li  Li2  1  0.000  0.750  0.550  1.0
  Li  Li3  1  0.000  0.250  0.768  1.0
  Li  Li4  1  0.500  0.250  0.268  1.0
  Li  Li5  1  0.500  0.250  0.950  1.0
  Li  Li6  1  0.500  0.750  0.050  1.0
  Li  Li7  1  0.500  0.750  0.732  1.0
  W  W8  1  0.000  0.250  0.107  1.0
  W  W9  1  0.000  0.750  0.893  1.0
  W  W10  1  0.500  0.750  0.393  1.0
  W  W11  1  0.500  0.250  0.607  1.0
  O  O12  1  0.247  0.103  0.044  1.0
  O  O13  1  0.247  0.603  0.956  1.0
  O  O14  1  0.253  0.603  0.456  1.0
  O  O15  1  0.253  0.103  0.544  1.0
  O  O16  1  0.747  0.397  0.544  1.0
  O  O17  1  0.747  0.897  0.456  1.0
  O  O18  1  0.753  0.397  0.044  1.0
  O  O19  1  0.753  0.897  0.956  1.0
  F  F20  1  0.212  0.093  0.201  1.0
  F  F21  1  0.212  0.593  0.799  1.0
  F  F22  1  0.226  0.064  0.873  1.0
  F  F23  1  0.226  0.564  0.127  1.0
  F  F24  1  0.274  0.564  0.627  1.0
  F  F25  1  0.274  0.064  0.373  1.0
  F  F26  1  0.288  0.093  0.701  1.0
  F  F27  1  0.288  0.593  0.299  1.0
  F  F28  1  0.712  0.907  0.299  1.0
  F  F29  1  0.712  0.407  0.701  1.0
  F  F30  1  0.726  0.436  0.373  1.0
  F  F31  1  0.726  0.936  0.627  1.0
  F  F32  1  0.774  0.936  0.127  1.0
  F  F33  1  0.774  0.436  0.873  1.0
  F  F34  1  0.788  0.907  0.799  1.0
  F  F35  1  0.788  0.407  0.201  1.0
[/CIF]
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