The crystal structure described by LiVCrP2(O4F)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Cr(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent Cr(1)O4F2 octahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Cr(2)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent F(2) atoms to form CrO4F2 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, and corners with four equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form CrO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and  a cornercorner with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to 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 bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LiVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   7.354
_cell_length_c   10.433
_cell_angle_alpha   104.083
_cell_angle_beta   97.074
_cell_angle_gamma   108.889
_symmetry_Int_Tables_number   1
_cell_volume   354.904
_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  0.049  0.128  0.305  1.0
  Li  Li1  1  0.951  0.872  0.695  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.506  0.067  0.823  1.0
  P  P7  1  0.996  0.560  0.319  1.0
  P  P8  1  0.004  0.440  0.681  1.0
  P  P9  1  0.494  0.933  0.177  1.0
  O  O10  1  0.718  0.958  0.836  1.0
  O  O11  1  0.191  0.441  0.342  1.0
  O  O12  1  0.636  0.291  0.892  1.0
  O  O13  1  0.357  0.006  0.671  1.0
  O  O14  1  0.141  0.788  0.392  1.0
  O  O15  1  0.866  0.510  0.171  1.0
  O  O16  1  0.251  0.972  0.886  1.0
  O  O17  1  0.741  0.478  0.387  1.0
  O  O18  1  0.259  0.522  0.613  1.0
  O  O19  1  0.749  0.028  0.114  1.0
  O  O20  1  0.134  0.490  0.829  1.0
  O  O21  1  0.859  0.212  0.608  1.0
  O  O22  1  0.643  0.994  0.329  1.0
  O  O23  1  0.364  0.709  0.108  1.0
  O  O24  1  0.809  0.559  0.658  1.0
  O  O25  1  0.282  0.042  0.164  1.0
  F  F26  1  0.859  0.714  0.973  1.0
  F  F27  1  0.344  0.203  0.467  1.0
  F  F28  1  0.656  0.797  0.533  1.0
  F  F29  1  0.141  0.286  0.027  1.0
[/CIF]
.
The crystal structure described by LiVCrP2(O4F)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share corners with two equivalent Cr(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(8), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent Cr(1)O4F2 octahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Cr(2)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent F(2) atoms to form CrO4F2 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, and corners with four equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form CrO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-52°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O4F2 octahedra,  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and  a cornercorner with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one V(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to 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 bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_LiVCrP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   7.354
_cell_length_c   10.433
_cell_angle_alpha   104.083
_cell_angle_beta   97.074
_cell_angle_gamma   108.889
_symmetry_Int_Tables_number   1
_cell_volume   354.904
_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  0.049  0.128  0.305  1.0
  Li  Li1  1  0.951  0.872  0.695  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.506  0.067  0.823  1.0
  P  P7  1  0.996  0.560  0.319  1.0
  P  P8  1  0.004  0.440  0.681  1.0
  P  P9  1  0.494  0.933  0.177  1.0
  O  O10  1  0.718  0.958  0.836  1.0
  O  O11  1  0.191  0.441  0.342  1.0
  O  O12  1  0.636  0.291  0.892  1.0
  O  O13  1  0.357  0.006  0.671  1.0
  O  O14  1  0.141  0.788  0.392  1.0
  O  O15  1  0.866  0.510  0.171  1.0
  O  O16  1  0.251  0.972  0.886  1.0
  O  O17  1  0.741  0.478  0.387  1.0
  O  O18  1  0.259  0.522  0.613  1.0
  O  O19  1  0.749  0.028  0.114  1.0
  O  O20  1  0.134  0.490  0.829  1.0
  O  O21  1  0.859  0.212  0.608  1.0
  O  O22  1  0.643  0.994  0.329  1.0
  O  O23  1  0.364  0.709  0.108  1.0
  O  O24  1  0.809  0.559  0.658  1.0
  O  O25  1  0.282  0.042  0.164  1.0
  F  F26  1  0.859  0.714  0.973  1.0
  F  F27  1  0.344  0.203  0.467  1.0
  F  F28  1  0.656  0.797  0.533  1.0
  F  F29  1  0.141  0.286  0.027  1.0
[/CIF]
.