The structure described by LiVOF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. V(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.714
_cell_length_b   5.572
_cell_length_c   10.284
_cell_angle_alpha   90.002
_cell_angle_beta   89.994
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   270.129
_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  0.010  0.492  0.997  1.0
  Li  Li1  1  0.010  0.508  0.497  1.0
  Li  Li2  1  0.510  0.008  0.003  1.0
  Li  Li3  1  0.510  0.992  0.503  1.0
  V  V4  1  0.972  0.167  0.740  1.0
  V  V5  1  0.472  0.667  0.760  1.0
  V  V6  1  0.973  0.833  0.240  1.0
  V  V7  1  0.472  0.333  0.260  1.0
  O  O8  1  0.246  0.456  0.813  1.0
  O  O9  1  0.247  0.545  0.313  1.0
  O  O10  1  0.746  0.956  0.687  1.0
  O  O11  1  0.747  0.045  0.187  1.0
  F  F12  1  0.198  0.213  0.587  1.0
  F  F13  1  0.198  0.787  0.087  1.0
  F  F14  1  0.698  0.713  0.913  1.0
  F  F15  1  0.698  0.287  0.413  1.0
  F  F16  1  0.261  0.045  0.323  1.0
  F  F17  1  0.260  0.955  0.823  1.0
  F  F18  1  0.760  0.455  0.677  1.0
  F  F19  1  0.760  0.545  0.177  1.0
  F  F20  1  0.313  0.714  0.589  1.0
  F  F21  1  0.313  0.286  0.089  1.0
  F  F22  1  0.813  0.786  0.411  1.0
  F  F23  1  0.813  0.214  0.911  1.0
[/CIF]
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The structure described by LiVOF3 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. V(1) is bonded to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms to form distorted VO2F4 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.714
_cell_length_b   5.572
_cell_length_c   10.284
_cell_angle_alpha   90.002
_cell_angle_beta   89.994
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   270.129
_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  0.010  0.492  0.997  1.0
  Li  Li1  1  0.010  0.508  0.497  1.0
  Li  Li2  1  0.510  0.008  0.003  1.0
  Li  Li3  1  0.510  0.992  0.503  1.0
  V  V4  1  0.972  0.167  0.740  1.0
  V  V5  1  0.472  0.667  0.760  1.0
  V  V6  1  0.973  0.833  0.240  1.0
  V  V7  1  0.472  0.333  0.260  1.0
  O  O8  1  0.246  0.456  0.813  1.0
  O  O9  1  0.247  0.545  0.313  1.0
  O  O10  1  0.746  0.956  0.687  1.0
  O  O11  1  0.747  0.045  0.187  1.0
  F  F12  1  0.198  0.213  0.587  1.0
  F  F13  1  0.198  0.787  0.087  1.0
  F  F14  1  0.698  0.713  0.913  1.0
  F  F15  1  0.698  0.287  0.413  1.0
  F  F16  1  0.261  0.045  0.323  1.0
  F  F17  1  0.260  0.955  0.823  1.0
  F  F18  1  0.760  0.455  0.677  1.0
  F  F19  1  0.760  0.545  0.177  1.0
  F  F20  1  0.313  0.714  0.589  1.0
  F  F21  1  0.313  0.286  0.089  1.0
  F  F22  1  0.813  0.786  0.411  1.0
  F  F23  1  0.813  0.214  0.911  1.0
[/CIF]
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