The structure described by Li3V4P2O8F9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), one F(1), and one F(5) atom. In the second Li site, Li(2) is bonded in a single-bond geometry to one F(3) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the second V site, V(2) is bonded to two equivalent O(3), one F(1), one F(2), and two equivalent F(6) atoms to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. In the third V site, V(3) is bonded to one O(2), one O(4), one F(3), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-44°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(2)O2F4 octahedra, and corners with two equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(3) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(2) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.590
_cell_length_b   7.046
_cell_length_c   7.421
_cell_angle_alpha   75.503
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   738.573
_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  0.750  0.020  0.440  1.0
  Li  Li1  1  0.449  0.816  0.727  1.0
  Li  Li2  1  0.051  0.816  0.727  1.0
  Li  Li3  1  0.551  0.184  0.273  1.0
  Li  Li4  1  0.949  0.184  0.273  1.0
  Li  Li5  1  0.250  0.980  0.560  1.0
  V  V6  1  0.750  0.964  0.061  1.0
  V  V7  1  0.250  0.518  0.949  1.0
  V  V8  1  0.381  0.686  0.324  1.0
  V  V9  1  0.119  0.686  0.324  1.0
  V  V10  1  0.619  0.314  0.676  1.0
  V  V11  1  0.881  0.314  0.676  1.0
  V  V12  1  0.750  0.482  0.051  1.0
  V  V13  1  0.250  0.036  0.939  1.0
  P  P14  1  0.900  0.664  0.298  1.0
  P  P15  1  0.600  0.664  0.298  1.0
  P  P16  1  0.400  0.336  0.702  1.0
  P  P17  1  0.100  0.336  0.702  1.0
  O  O18  1  0.844  0.860  0.256  1.0
  O  O19  1  0.656  0.860  0.256  1.0
  O  O20  1  0.504  0.712  0.212  1.0
  O  O21  1  0.996  0.712  0.212  1.0
  O  O22  1  0.355  0.492  0.790  1.0
  O  O23  1  0.145  0.492  0.790  1.0
  O  O24  1  0.904  0.579  0.510  1.0
  O  O25  1  0.596  0.579  0.510  1.0
  O  O26  1  0.404  0.421  0.490  1.0
  O  O27  1  0.096  0.421  0.490  1.0
  O  O28  1  0.855  0.508  0.210  1.0
  O  O29  1  0.645  0.508  0.210  1.0
  O  O30  1  0.496  0.288  0.788  1.0
  O  O31  1  0.004  0.288  0.788  1.0
  O  O32  1  0.344  0.140  0.744  1.0
  O  O33  1  0.156  0.140  0.744  1.0
  F  F34  1  0.250  0.809  0.814  1.0
  F  F35  1  0.750  0.761  0.921  1.0
  F  F36  1  0.412  0.863  0.488  1.0
  F  F37  1  0.088  0.863  0.488  1.0
  F  F38  1  0.346  0.923  0.121  1.0
  F  F39  1  0.154  0.923  0.121  1.0
  F  F40  1  0.250  0.710  0.420  1.0
  F  F41  1  0.842  0.456  0.863  1.0
  F  F42  1  0.658  0.456  0.863  1.0
  F  F43  1  0.342  0.544  0.137  1.0
  F  F44  1  0.158  0.544  0.137  1.0
  F  F45  1  0.750  0.290  0.580  1.0
  F  F46  1  0.846  0.077  0.879  1.0
  F  F47  1  0.654  0.077  0.879  1.0
  F  F48  1  0.912  0.137  0.512  1.0
  F  F49  1  0.588  0.137  0.512  1.0
  F  F50  1  0.250  0.239  0.079  1.0
  F  F51  1  0.750  0.191  0.186  1.0
[/CIF]
.
The structure described by Li3V4P2O8F9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), one F(1), and one F(5) atom. In the second Li site, Li(2) is bonded in a single-bond geometry to one F(3) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-59°. In the second V site, V(2) is bonded to two equivalent O(3), one F(1), one F(2), and two equivalent F(6) atoms to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-59°. In the third V site, V(3) is bonded to one O(2), one O(4), one F(3), one F(4), one F(5), and one F(6) atom to form VO2F4 octahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-44°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(2)O2F4 octahedra, and corners with two equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(3) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Li(2) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.590
_cell_length_b   7.046
_cell_length_c   7.421
_cell_angle_alpha   75.503
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   738.573
_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  0.750  0.020  0.440  1.0
  Li  Li1  1  0.449  0.816  0.727  1.0
  Li  Li2  1  0.051  0.816  0.727  1.0
  Li  Li3  1  0.551  0.184  0.273  1.0
  Li  Li4  1  0.949  0.184  0.273  1.0
  Li  Li5  1  0.250  0.980  0.560  1.0
  V  V6  1  0.750  0.964  0.061  1.0
  V  V7  1  0.250  0.518  0.949  1.0
  V  V8  1  0.381  0.686  0.324  1.0
  V  V9  1  0.119  0.686  0.324  1.0
  V  V10  1  0.619  0.314  0.676  1.0
  V  V11  1  0.881  0.314  0.676  1.0
  V  V12  1  0.750  0.482  0.051  1.0
  V  V13  1  0.250  0.036  0.939  1.0
  P  P14  1  0.900  0.664  0.298  1.0
  P  P15  1  0.600  0.664  0.298  1.0
  P  P16  1  0.400  0.336  0.702  1.0
  P  P17  1  0.100  0.336  0.702  1.0
  O  O18  1  0.844  0.860  0.256  1.0
  O  O19  1  0.656  0.860  0.256  1.0
  O  O20  1  0.504  0.712  0.212  1.0
  O  O21  1  0.996  0.712  0.212  1.0
  O  O22  1  0.355  0.492  0.790  1.0
  O  O23  1  0.145  0.492  0.790  1.0
  O  O24  1  0.904  0.579  0.510  1.0
  O  O25  1  0.596  0.579  0.510  1.0
  O  O26  1  0.404  0.421  0.490  1.0
  O  O27  1  0.096  0.421  0.490  1.0
  O  O28  1  0.855  0.508  0.210  1.0
  O  O29  1  0.645  0.508  0.210  1.0
  O  O30  1  0.496  0.288  0.788  1.0
  O  O31  1  0.004  0.288  0.788  1.0
  O  O32  1  0.344  0.140  0.744  1.0
  O  O33  1  0.156  0.140  0.744  1.0
  F  F34  1  0.250  0.809  0.814  1.0
  F  F35  1  0.750  0.761  0.921  1.0
  F  F36  1  0.412  0.863  0.488  1.0
  F  F37  1  0.088  0.863  0.488  1.0
  F  F38  1  0.346  0.923  0.121  1.0
  F  F39  1  0.154  0.923  0.121  1.0
  F  F40  1  0.250  0.710  0.420  1.0
  F  F41  1  0.842  0.456  0.863  1.0
  F  F42  1  0.658  0.456  0.863  1.0
  F  F43  1  0.342  0.544  0.137  1.0
  F  F44  1  0.158  0.544  0.137  1.0
  F  F45  1  0.750  0.290  0.580  1.0
  F  F46  1  0.846  0.077  0.879  1.0
  F  F47  1  0.654  0.077  0.879  1.0
  F  F48  1  0.912  0.137  0.512  1.0
  F  F49  1  0.588  0.137  0.512  1.0
  F  F50  1  0.250  0.239  0.079  1.0
  F  F51  1  0.750  0.191  0.186  1.0
[/CIF]
.