The crystal structure described by Li3VMnP2(O4F)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid, and  a faceface with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(8), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-53°. V(1) is bonded to one O(1), one O(4), one O(5), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(2)O3F2 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O4F trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-56°. Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, corners with two equivalent Li(3)O4F trigonal bipyramids,  an edgeedge with one Li(2)O3F2 square pyramid, and  a faceface with one Li(2)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-50°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.436
_cell_length_c   7.445
_cell_angle_alpha   73.035
_cell_angle_beta   72.529
_cell_angle_gamma   96.736
_symmetry_Int_Tables_number   1
_cell_volume   189.962
_cell_formula_units_Z   1
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
  F  F0  1  0.843  0.090  0.256  1.0
  F  F1  1  0.152  0.917  0.743  1.0
  Li  Li2  1  0.264  0.598  0.845  1.0
  Li  Li3  1  0.491  0.043  0.487  1.0
  Li  Li4  1  0.755  0.416  0.139  1.0
  Mn  Mn5  1  0.989  0.991  0.502  1.0
  O  O6  1  0.358  0.241  0.923  1.0
  O  O7  1  0.714  0.210  0.612  1.0
  O  O8  1  0.660  0.648  0.667  1.0
  O  O9  1  0.140  0.670  0.120  1.0
  O  O10  1  0.861  0.327  0.880  1.0
  O  O11  1  0.338  0.347  0.338  1.0
  O  O12  1  0.282  0.789  0.389  1.0
  O  O13  1  0.642  0.756  0.081  1.0
  P  P14  1  0.655  0.354  0.763  1.0
  P  P15  1  0.344  0.642  0.240  1.0
  V  V16  1  1.000  1.000  0.001  1.0
[/CIF]
.
The crystal structure described by Li3VMnP2(O4F)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), one F(1), and one F(2) atom to form distorted LiO3F2 square pyramids that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Li(3)O4F trigonal bipyramid, and  a faceface with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-41°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(8), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-53°. V(1) is bonded to one O(1), one O(4), one O(5), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(2)O3F2 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O4F trigonal bipyramids, and edges with two equivalent Li(3)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-56°. Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O4F trigonal bipyramids, corners with two equivalent Li(3)O4F trigonal bipyramids,  an edgeedge with one Li(2)O3F2 square pyramid, and  a faceface with one Li(2)O3F2 square pyramid. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-50°. In the second P site, P(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(3), one V(1), and one P(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.436
_cell_length_c   7.445
_cell_angle_alpha   73.035
_cell_angle_beta   72.529
_cell_angle_gamma   96.736
_symmetry_Int_Tables_number   1
_cell_volume   189.962
_cell_formula_units_Z   1
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
  F  F0  1  0.843  0.090  0.256  1.0
  F  F1  1  0.152  0.917  0.743  1.0
  Li  Li2  1  0.264  0.598  0.845  1.0
  Li  Li3  1  0.491  0.043  0.487  1.0
  Li  Li4  1  0.755  0.416  0.139  1.0
  Mn  Mn5  1  0.989  0.991  0.502  1.0
  O  O6  1  0.358  0.241  0.923  1.0
  O  O7  1  0.714  0.210  0.612  1.0
  O  O8  1  0.660  0.648  0.667  1.0
  O  O9  1  0.140  0.670  0.120  1.0
  O  O10  1  0.861  0.327  0.880  1.0
  O  O11  1  0.338  0.347  0.338  1.0
  O  O12  1  0.282  0.789  0.389  1.0
  O  O13  1  0.642  0.756  0.081  1.0
  P  P14  1  0.655  0.354  0.763  1.0
  P  P15  1  0.344  0.642  0.240  1.0
  V  V16  1  1.000  1.000  0.001  1.0
[/CIF]
.