The structure described by Li2VMnP2(O4F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(19), one O(23), one O(7), and one F(2) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded to one O(1), one O(16), one O(5), one O(9), and one F(4) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(18), one O(8), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(6)O4F square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(17), one O(7), and one F(6) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fifth Li site, Li(5) is bonded to one O(16), one O(20), one O(24), one O(9), and one F(3) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the sixth Li site, Li(6) is bonded to one O(12), one O(18), one O(2), one O(6), and one F(5) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(13), one O(2), one O(23), one F(1), and one F(6) atom to form VO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(3)O4F square pyramid,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one O(14), one O(15), one O(4), one O(6), one F(1), and one F(5) atom to form VO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(3)O4F square pyramids, corners with two equivalent Li(6)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to one O(16), one O(17), one O(5), one O(7), one F(2), and one F(3) atom to form VO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(2)O4F square pyramid,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(22), one O(24), one O(3), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(2)O4F square pyramids, corners with two equivalent Li(5)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Mn site, Mn(2) is bonded to one O(18), one O(20), one O(8), one O(9), one F(4), and one F(5) atom to form MnO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O4F square pyramid,  an edgeedge with one Li(3)O4F square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(19), one O(21), one F(2), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, corners with two equivalent Li(4)O4F square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(18), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(6)O4F square pyramid, and  an edgeedge with one Li(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 33-53°. In the second P site, P(2) is bonded to one O(20), one O(24), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(2)O4F square pyramid,  a cornercorner with one Li(5)O4F square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-53°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(6)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-52°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(4)O4F square pyramid, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. In the fifth P site, P(5) is bonded to one O(1), one O(16), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(2)O4F square pyramid,  a cornercorner with one Li(5)O4F square pyramid, and  an edgeedge with one Li(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 30-52°. In the sixth P site, P(6) is bonded to one O(11), one O(17), one O(22), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(4)O4F square pyramid, and  an edgeedge with one Li(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(6), one V(1), and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one V(3), and one P(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one V(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one V(3), and one P(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(3), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(3), and one P(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(6), one V(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one V(3), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one Li(4), one V(3), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(6), one Mn(2), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Li(5), one Mn(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) 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(3), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(5), one V(3), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(6), one V(2), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   7.501
_cell_length_c   14.748
_cell_angle_alpha   93.307
_cell_angle_beta   94.216
_cell_angle_gamma   105.274
_symmetry_Int_Tables_number   1
_cell_volume   555.747
_cell_formula_units_Z   3
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  0.060  0.331  0.143  1.0
  Li  Li1  1  0.392  0.666  0.477  1.0
  Li  Li2  1  0.728  0.995  0.808  1.0
  Li  Li3  1  0.274  0.002  0.190  1.0
  Li  Li4  1  0.605  0.336  0.526  1.0
  Li  Li5  1  0.938  0.667  0.857  1.0
  Mn  Mn6  1  0.996  0.997  0.500  1.0
  Mn  Mn7  1  0.665  0.666  0.667  1.0
  Mn  Mn8  1  0.669  0.669  0.166  1.0
  V  V9  1  0.004  0.003  1.000  1.0
  V  V10  1  0.334  0.333  0.834  1.0
  V  V11  1  0.333  0.333  0.333  1.0
  P  P12  1  0.263  0.941  0.707  1.0
  P  P13  1  0.069  0.389  0.627  1.0
  P  P14  1  0.406  0.724  0.960  1.0
  P  P15  1  0.597  0.279  0.041  1.0
  P  P16  1  0.928  0.611  0.372  1.0
  P  P17  1  0.739  0.056  0.293  1.0
  O  O18  1  0.084  0.779  0.439  1.0
  O  O19  1  0.231  0.860  0.946  1.0
  O  O20  1  0.242  0.992  0.608  1.0
  O  O21  1  0.089  0.339  0.725  1.0
  O  O22  1  0.101  0.473  0.384  1.0
  O  O23  1  0.251  0.554  0.895  1.0
  O  O24  1  0.018  0.144  0.261  1.0
  O  O25  1  0.438  0.804  0.721  1.0
  O  O26  1  0.350  0.477  0.594  1.0
  O  O27  1  0.425  0.673  0.059  1.0
  O  O28  1  0.583  0.888  0.226  1.0
  O  O29  1  0.686  0.815  0.927  1.0
  O  O30  1  0.317  0.189  0.073  1.0
  O  O31  1  0.415  0.112  0.772  1.0
  O  O32  1  0.576  0.328  0.942  1.0
  O  O33  1  0.649  0.523  0.405  1.0
  O  O34  1  0.565  0.194  0.282  1.0
  O  O35  1  0.981  0.853  0.740  1.0
  O  O36  1  0.751  0.448  0.107  1.0
  O  O37  1  0.892  0.525  0.613  1.0
  O  O38  1  0.911  0.664  0.273  1.0
  O  O39  1  0.756  0.005  0.393  1.0
  O  O40  1  0.773  0.143  0.053  1.0
  O  O41  1  0.917  0.220  0.560  1.0
  F  F42  1  0.024  0.151  0.887  1.0
  F  F43  1  0.344  0.476  0.225  1.0
  F  F44  1  0.323  0.191  0.442  1.0
  F  F45  1  0.673  0.817  0.552  1.0
  F  F46  1  0.643  0.507  0.784  1.0
  F  F47  1  0.989  0.857  0.109  1.0
[/CIF]
.
The structure described by Li2VMnP2(O4F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(19), one O(23), one O(7), and one F(2) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Li site, Li(2) is bonded to one O(1), one O(16), one O(5), one O(9), and one F(4) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(18), one O(8), and one F(1) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(6)O4F square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(17), one O(7), and one F(6) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(3)O4F2 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Li(1)O4F square pyramid, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the fifth Li site, Li(5) is bonded to one O(16), one O(20), one O(24), one O(9), and one F(3) atom to form distorted LiO4F square pyramids that share corners with two equivalent Mn(1)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(2)O4F square pyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the sixth Li site, Li(6) is bonded to one O(12), one O(18), one O(2), one O(6), and one F(5) atom to form distorted LiO4F square pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra,  an edgeedge with one Li(3)O4F square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(13), one O(2), one O(23), one F(1), and one F(6) atom to form VO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(3)O4F square pyramid,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one O(14), one O(15), one O(4), one O(6), one F(1), and one F(5) atom to form VO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(3)O4F square pyramids, corners with two equivalent Li(6)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to one O(16), one O(17), one O(5), one O(7), one F(2), and one F(3) atom to form VO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4F square pyramid,  an edgeedge with one Li(2)O4F square pyramid,  an edgeedge with one Li(4)O4F square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(22), one O(24), one O(3), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Li(2)O4F square pyramids, corners with two equivalent Li(5)O4F square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Mn site, Mn(2) is bonded to one O(18), one O(20), one O(8), one O(9), one F(4), and one F(5) atom to form MnO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(2)O4F square pyramid,  an edgeedge with one Li(3)O4F square pyramid,  an edgeedge with one Li(5)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(19), one O(21), one F(2), and one F(6) atom to form MnO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra, corners with two equivalent Li(1)O4F square pyramids, corners with two equivalent Li(4)O4F square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(18), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(6)O4F square pyramid, and  an edgeedge with one Li(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 33-53°. In the second P site, P(2) is bonded to one O(20), one O(24), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Li(2)O4F square pyramid,  a cornercorner with one Li(5)O4F square pyramid, and  an edgeedge with one Li(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-53°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(3)O4F square pyramid,  a cornercorner with one Li(6)O4F square pyramid, and  an edgeedge with one Li(6)O4F square pyramid. The corner-sharing octahedral tilt angles range from 32-52°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(4)O4F square pyramid, and  an edgeedge with one Li(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. In the fifth P site, P(5) is bonded to one O(1), one O(16), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(2)O4F square pyramid,  a cornercorner with one Li(5)O4F square pyramid, and  an edgeedge with one Li(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 30-52°. In the sixth P site, P(6) is bonded to one O(11), one O(17), one O(22), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O4F square pyramid,  a cornercorner with one Li(4)O4F square pyramid, and  an edgeedge with one Li(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 31-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(6), one V(1), and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(2), one V(3), and one P(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(6), one V(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one V(3), and one P(6) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(3), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(3), and one P(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(6), one V(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one V(3), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one Li(4), one V(3), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(6), one Mn(2), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Li(5), one Mn(2), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) 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(3), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one Mn(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(5), one V(3), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(6), one V(2), and one Mn(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnVP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   7.501
_cell_length_c   14.748
_cell_angle_alpha   93.307
_cell_angle_beta   94.216
_cell_angle_gamma   105.274
_symmetry_Int_Tables_number   1
_cell_volume   555.747
_cell_formula_units_Z   3
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  0.060  0.331  0.143  1.0
  Li  Li1  1  0.392  0.666  0.477  1.0
  Li  Li2  1  0.728  0.995  0.808  1.0
  Li  Li3  1  0.274  0.002  0.190  1.0
  Li  Li4  1  0.605  0.336  0.526  1.0
  Li  Li5  1  0.938  0.667  0.857  1.0
  Mn  Mn6  1  0.996  0.997  0.500  1.0
  Mn  Mn7  1  0.665  0.666  0.667  1.0
  Mn  Mn8  1  0.669  0.669  0.166  1.0
  V  V9  1  0.004  0.003  1.000  1.0
  V  V10  1  0.334  0.333  0.834  1.0
  V  V11  1  0.333  0.333  0.333  1.0
  P  P12  1  0.263  0.941  0.707  1.0
  P  P13  1  0.069  0.389  0.627  1.0
  P  P14  1  0.406  0.724  0.960  1.0
  P  P15  1  0.597  0.279  0.041  1.0
  P  P16  1  0.928  0.611  0.372  1.0
  P  P17  1  0.739  0.056  0.293  1.0
  O  O18  1  0.084  0.779  0.439  1.0
  O  O19  1  0.231  0.860  0.946  1.0
  O  O20  1  0.242  0.992  0.608  1.0
  O  O21  1  0.089  0.339  0.725  1.0
  O  O22  1  0.101  0.473  0.384  1.0
  O  O23  1  0.251  0.554  0.895  1.0
  O  O24  1  0.018  0.144  0.261  1.0
  O  O25  1  0.438  0.804  0.721  1.0
  O  O26  1  0.350  0.477  0.594  1.0
  O  O27  1  0.425  0.673  0.059  1.0
  O  O28  1  0.583  0.888  0.226  1.0
  O  O29  1  0.686  0.815  0.927  1.0
  O  O30  1  0.317  0.189  0.073  1.0
  O  O31  1  0.415  0.112  0.772  1.0
  O  O32  1  0.576  0.328  0.942  1.0
  O  O33  1  0.649  0.523  0.405  1.0
  O  O34  1  0.565  0.194  0.282  1.0
  O  O35  1  0.981  0.853  0.740  1.0
  O  O36  1  0.751  0.448  0.107  1.0
  O  O37  1  0.892  0.525  0.613  1.0
  O  O38  1  0.911  0.664  0.273  1.0
  O  O39  1  0.756  0.005  0.393  1.0
  O  O40  1  0.773  0.143  0.053  1.0
  O  O41  1  0.917  0.220  0.560  1.0
  F  F42  1  0.024  0.151  0.887  1.0
  F  F43  1  0.344  0.476  0.225  1.0
  F  F44  1  0.323  0.191  0.442  1.0
  F  F45  1  0.673  0.817  0.552  1.0
  F  F46  1  0.643  0.507  0.784  1.0
  F  F47  1  0.989  0.857  0.109  1.0
[/CIF]
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