The material structure described by LiVOF3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(4), one F(5), and one F(6) atom to form distorted LiF4 tetrahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, and corners with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(6) atom to form distorted LiO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, edges with two equivalent V(2)O2F4 octahedra, and edges with three equivalent V(1)O2F4 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form distorted VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(1)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   8.848
_cell_length_c   8.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.855
_cell_formula_units_Z   8
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  0.500  0.751  0.001  1.0
  Li  Li1  1  0.000  0.749  0.999  1.0
  Li  Li2  1  0.126  0.600  0.350  1.0
  Li  Li3  1  0.374  0.400  0.850  1.0
  Li  Li4  1  0.500  0.251  0.499  1.0
  Li  Li5  1  1.000  0.249  0.501  1.0
  Li  Li6  1  0.874  0.100  0.150  1.0
  Li  Li7  1  0.626  0.900  0.650  1.0
  V  V8  1  0.357  0.626  0.623  1.0
  V  V9  1  0.855  0.619  0.632  1.0
  V  V10  1  0.645  0.381  0.132  1.0
  V  V11  1  0.143  0.374  0.123  1.0
  V  V12  1  0.643  0.126  0.877  1.0
  V  V13  1  0.145  0.119  0.868  1.0
  V  V14  1  0.355  0.881  0.368  1.0
  V  V15  1  0.857  0.874  0.377  1.0
  O  O16  1  0.629  0.640  0.625  1.0
  O  O17  1  0.132  0.626  0.610  1.0
  O  O18  1  0.368  0.374  0.110  1.0
  O  O19  1  0.871  0.360  0.125  1.0
  O  O20  1  0.371  0.140  0.875  1.0
  O  O21  1  0.868  0.126  0.890  1.0
  O  O22  1  0.632  0.874  0.390  1.0
  O  O23  1  0.129  0.860  0.375  1.0
  F  F24  1  0.377  0.647  0.396  1.0
  F  F25  1  0.882  0.647  0.399  1.0
  F  F26  1  0.380  0.623  0.840  1.0
  F  F27  1  0.892  0.635  0.840  1.0
  F  F28  1  0.618  0.591  0.111  1.0
  F  F29  1  0.110  0.591  0.128  1.0
  F  F30  1  0.390  0.409  0.628  1.0
  F  F31  1  0.882  0.409  0.611  1.0
  F  F32  1  0.608  0.365  0.340  1.0
  F  F33  1  0.120  0.377  0.340  1.0
  F  F34  1  0.618  0.353  0.899  1.0
  F  F35  1  0.123  0.353  0.896  1.0
  F  F36  1  0.623  0.147  0.104  1.0
  F  F37  1  0.118  0.147  0.101  1.0
  F  F38  1  0.620  0.123  0.660  1.0
  F  F39  1  0.108  0.135  0.660  1.0
  F  F40  1  0.382  0.091  0.389  1.0
  F  F41  1  0.890  0.091  0.372  1.0
  F  F42  1  0.610  0.909  0.872  1.0
  F  F43  1  0.118  0.909  0.889  1.0
  F  F44  1  0.392  0.865  0.160  1.0
  F  F45  1  0.880  0.877  0.160  1.0
  F  F46  1  0.382  0.853  0.601  1.0
  F  F47  1  0.877  0.853  0.604  1.0
[/CIF]
.
The material structure described by LiVOF3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(4), one F(5), and one F(6) atom to form distorted LiF4 tetrahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, and corners with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(6) atom to form distorted LiO2F4 octahedra that share corners with two equivalent Li(1)F4 tetrahedra, edges with two equivalent V(2)O2F4 octahedra, and edges with three equivalent V(1)O2F4 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with three equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(4), and one F(5) atom to form distorted VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(1)O2F4 octahedra, and edges with two equivalent Li(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   8.848
_cell_length_c   8.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.855
_cell_formula_units_Z   8
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  0.500  0.751  0.001  1.0
  Li  Li1  1  0.000  0.749  0.999  1.0
  Li  Li2  1  0.126  0.600  0.350  1.0
  Li  Li3  1  0.374  0.400  0.850  1.0
  Li  Li4  1  0.500  0.251  0.499  1.0
  Li  Li5  1  1.000  0.249  0.501  1.0
  Li  Li6  1  0.874  0.100  0.150  1.0
  Li  Li7  1  0.626  0.900  0.650  1.0
  V  V8  1  0.357  0.626  0.623  1.0
  V  V9  1  0.855  0.619  0.632  1.0
  V  V10  1  0.645  0.381  0.132  1.0
  V  V11  1  0.143  0.374  0.123  1.0
  V  V12  1  0.643  0.126  0.877  1.0
  V  V13  1  0.145  0.119  0.868  1.0
  V  V14  1  0.355  0.881  0.368  1.0
  V  V15  1  0.857  0.874  0.377  1.0
  O  O16  1  0.629  0.640  0.625  1.0
  O  O17  1  0.132  0.626  0.610  1.0
  O  O18  1  0.368  0.374  0.110  1.0
  O  O19  1  0.871  0.360  0.125  1.0
  O  O20  1  0.371  0.140  0.875  1.0
  O  O21  1  0.868  0.126  0.890  1.0
  O  O22  1  0.632  0.874  0.390  1.0
  O  O23  1  0.129  0.860  0.375  1.0
  F  F24  1  0.377  0.647  0.396  1.0
  F  F25  1  0.882  0.647  0.399  1.0
  F  F26  1  0.380  0.623  0.840  1.0
  F  F27  1  0.892  0.635  0.840  1.0
  F  F28  1  0.618  0.591  0.111  1.0
  F  F29  1  0.110  0.591  0.128  1.0
  F  F30  1  0.390  0.409  0.628  1.0
  F  F31  1  0.882  0.409  0.611  1.0
  F  F32  1  0.608  0.365  0.340  1.0
  F  F33  1  0.120  0.377  0.340  1.0
  F  F34  1  0.618  0.353  0.899  1.0
  F  F35  1  0.123  0.353  0.896  1.0
  F  F36  1  0.623  0.147  0.104  1.0
  F  F37  1  0.118  0.147  0.101  1.0
  F  F38  1  0.620  0.123  0.660  1.0
  F  F39  1  0.108  0.135  0.660  1.0
  F  F40  1  0.382  0.091  0.389  1.0
  F  F41  1  0.890  0.091  0.372  1.0
  F  F42  1  0.610  0.909  0.872  1.0
  F  F43  1  0.118  0.909  0.889  1.0
  F  F44  1  0.392  0.865  0.160  1.0
  F  F45  1  0.880  0.877  0.160  1.0
  F  F46  1  0.382  0.853  0.601  1.0
  F  F47  1  0.877  0.853  0.604  1.0
[/CIF]
.