The material structure described by LiVCrP2(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(11), one O(21), one O(4), one O(8), and one F(6) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Li site, Li(2) is bonded to one O(23), one O(3), one O(6), one O(7), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the third Li site, Li(3) is bonded to one O(15), one O(18), one O(2), one O(9), and one F(5) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(15), one O(2), one O(23), one F(3), and one F(4) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(7), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the third V site, V(3) is bonded to one O(17), one O(18), one O(21), one O(22), one F(5), and one F(6) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(19), one O(24), one O(6), one F(2), and one F(5) atom to form CrO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid, and  a cornercorner with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(20), one O(9), one F(1), and one F(3) atom to form CrO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  a cornercorner with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the third Cr site, Cr(3) is bonded to one O(13), one O(14), one O(16), one O(5), one F(4), and one F(6) atom to form CrO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(16), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra, and  a cornercorner with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-50°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-50°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(18), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  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 28-52°. In the fifth P site, P(5) is bonded to one O(19), one O(20), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-50°. In the sixth P site, P(6) is bonded to one O(15), one O(21), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(3) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Cr(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one Cr(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.943
_cell_length_c   10.275
_cell_angle_alpha   112.633
_cell_angle_beta   105.172
_cell_angle_gamma   87.360
_symmetry_Int_Tables_number   1
_cell_volume   532.153
_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  0.683  0.930  0.501  1.0
  Li  Li1  1  0.983  0.403  0.163  1.0
  Li  Li2  1  0.649  0.738  0.833  1.0
  V  V3  1  0.010  0.999  0.000  1.0
  V  V4  1  0.331  0.666  0.333  1.0
  V  V5  1  0.664  0.333  0.666  1.0
  Cr  Cr6  1  0.497  0.500  0.002  1.0
  Cr  Cr7  1  0.168  0.833  0.666  1.0
  Cr  Cr8  1  0.835  0.166  0.333  1.0
  P  P9  1  0.432  0.931  0.184  1.0
  P  P10  1  0.904  0.738  0.149  1.0
  P  P11  1  0.238  0.402  0.483  1.0
  P  P12  1  0.759  0.597  0.518  1.0
  P  P13  1  0.091  0.267  0.850  1.0
  P  P14  1  0.577  0.069  0.816  1.0
  O  O15  1  0.457  0.764  0.054  1.0
  O  O16  1  0.887  0.783  0.012  1.0
  O  O17  1  0.106  0.665  0.193  1.0
  O  O18  1  0.442  0.883  0.320  1.0
  O  O19  1  0.879  0.903  0.280  1.0
  O  O20  1  0.774  0.568  0.110  1.0
  O  O21  1  0.226  0.449  0.345  1.0
  O  O22  1  0.559  0.672  0.470  1.0
  O  O23  1  0.442  0.902  0.776  1.0
  O  O24  1  0.224  0.995  0.137  1.0
  O  O25  1  0.892  0.765  0.557  1.0
  O  O26  1  0.217  0.572  0.613  1.0
  O  O27  1  0.789  0.431  0.391  1.0
  O  O28  1  0.103  0.239  0.442  1.0
  O  O29  1  0.775  0.990  0.863  1.0
  O  O30  1  0.565  0.095  0.225  1.0
  O  O31  1  0.443  0.335  0.529  1.0
  O  O32  1  0.759  0.560  0.656  1.0
  O  O33  1  0.229  0.428  0.893  1.0
  O  O34  1  0.117  0.095  0.725  1.0
  O  O35  1  0.576  0.105  0.676  1.0
  O  O36  1  0.888  0.335  0.800  1.0
  O  O37  1  0.085  0.227  0.988  1.0
  O  O38  1  0.552  0.238  0.942  1.0
  F  F39  1  0.225  0.829  0.487  1.0
  F  F40  1  0.439  0.503  0.180  1.0
  F  F41  1  0.110  0.836  0.845  1.0
  F  F42  1  0.896  0.171  0.156  1.0
  F  F43  1  0.559  0.504  0.824  1.0
  F  F44  1  0.773  0.162  0.510  1.0
[/CIF]
.
The material structure described by LiVCrP2(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(11), one O(21), one O(4), one O(8), and one F(6) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Li site, Li(2) is bonded to one O(23), one O(3), one O(6), one O(7), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the third Li site, Li(3) is bonded to one O(15), one O(18), one O(2), one O(9), and one F(5) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(15), one O(2), one O(23), one F(3), and one F(4) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(7), one O(8), one F(1), and one F(2) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the third V site, V(3) is bonded to one O(17), one O(18), one O(21), one O(22), one F(5), and one F(6) atom to form VO4F2 octahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(19), one O(24), one O(6), one F(2), and one F(5) atom to form CrO4F2 octahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid, and  a cornercorner with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-44°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(20), one O(9), one F(1), and one F(3) atom to form CrO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  a cornercorner with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 42°. In the third Cr site, Cr(3) is bonded to one O(13), one O(14), one O(16), one O(5), one F(4), and one F(6) atom to form CrO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(16), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra, and  a cornercorner with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-50°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  a cornercorner with one Li(3)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-50°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(18), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Cr(3)O4F2 octahedra,  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 28-52°. In the fifth P site, P(5) is bonded to one O(19), one O(20), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, and  a cornercorner with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-50°. In the sixth P site, P(6) is bonded to one O(15), one O(21), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(2), and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(3) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Cr(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one Cr(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.943
_cell_length_c   10.275
_cell_angle_alpha   112.633
_cell_angle_beta   105.172
_cell_angle_gamma   87.360
_symmetry_Int_Tables_number   1
_cell_volume   532.153
_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  0.683  0.930  0.501  1.0
  Li  Li1  1  0.983  0.403  0.163  1.0
  Li  Li2  1  0.649  0.738  0.833  1.0
  V  V3  1  0.010  0.999  0.000  1.0
  V  V4  1  0.331  0.666  0.333  1.0
  V  V5  1  0.664  0.333  0.666  1.0
  Cr  Cr6  1  0.497  0.500  0.002  1.0
  Cr  Cr7  1  0.168  0.833  0.666  1.0
  Cr  Cr8  1  0.835  0.166  0.333  1.0
  P  P9  1  0.432  0.931  0.184  1.0
  P  P10  1  0.904  0.738  0.149  1.0
  P  P11  1  0.238  0.402  0.483  1.0
  P  P12  1  0.759  0.597  0.518  1.0
  P  P13  1  0.091  0.267  0.850  1.0
  P  P14  1  0.577  0.069  0.816  1.0
  O  O15  1  0.457  0.764  0.054  1.0
  O  O16  1  0.887  0.783  0.012  1.0
  O  O17  1  0.106  0.665  0.193  1.0
  O  O18  1  0.442  0.883  0.320  1.0
  O  O19  1  0.879  0.903  0.280  1.0
  O  O20  1  0.774  0.568  0.110  1.0
  O  O21  1  0.226  0.449  0.345  1.0
  O  O22  1  0.559  0.672  0.470  1.0
  O  O23  1  0.442  0.902  0.776  1.0
  O  O24  1  0.224  0.995  0.137  1.0
  O  O25  1  0.892  0.765  0.557  1.0
  O  O26  1  0.217  0.572  0.613  1.0
  O  O27  1  0.789  0.431  0.391  1.0
  O  O28  1  0.103  0.239  0.442  1.0
  O  O29  1  0.775  0.990  0.863  1.0
  O  O30  1  0.565  0.095  0.225  1.0
  O  O31  1  0.443  0.335  0.529  1.0
  O  O32  1  0.759  0.560  0.656  1.0
  O  O33  1  0.229  0.428  0.893  1.0
  O  O34  1  0.117  0.095  0.725  1.0
  O  O35  1  0.576  0.105  0.676  1.0
  O  O36  1  0.888  0.335  0.800  1.0
  O  O37  1  0.085  0.227  0.988  1.0
  O  O38  1  0.552  0.238  0.942  1.0
  F  F39  1  0.225  0.829  0.487  1.0
  F  F40  1  0.439  0.503  0.180  1.0
  F  F41  1  0.110  0.836  0.845  1.0
  F  F42  1  0.896  0.171  0.156  1.0
  F  F43  1  0.559  0.504  0.824  1.0
  F  F44  1  0.773  0.162  0.510  1.0
[/CIF]
.