The structure described by LiCrPO4F crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(2) atom to form distorted CrO5F octahedra that share corners with two equivalent Cr(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(2)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-57°. In the second Cr site, Cr(2) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form distorted CrO4F2 octahedra that share corners with two equivalent Cr(1)O5F octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5F octahedra, corners with two equivalent Cr(2)O4F2 octahedra, corners with two equivalent Li(2)O4F trigonal bipyramids, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O4F2 octahedra, corners with two equivalent Cr(1)O5F octahedra, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cr(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   9.561
_cell_angle_alpha   64.226
_cell_angle_beta   64.226
_cell_angle_gamma   51.731
_symmetry_Int_Tables_number   1
_cell_volume   346.808
_cell_formula_units_Z   4
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  0.117  0.899  0.704  1.0
  Li  Li1  1  0.338  0.822  0.385  1.0
  Li  Li2  1  0.899  0.117  0.204  1.0
  Li  Li3  1  0.822  0.338  0.885  1.0
  Cr  Cr4  1  0.888  0.561  0.358  1.0
  Cr  Cr5  1  0.162  0.427  0.011  1.0
  Cr  Cr6  1  0.561  0.888  0.858  1.0
  Cr  Cr7  1  0.427  0.162  0.511  1.0
  P  P8  1  0.701  0.938  0.065  1.0
  P  P9  1  0.587  0.363  0.682  1.0
  P  P10  1  0.363  0.587  0.182  1.0
  P  P11  1  0.938  0.701  0.565  1.0
  O  O12  1  0.796  0.073  0.062  1.0
  O  O13  1  0.182  0.549  0.163  1.0
  O  O14  1  0.652  0.783  0.231  1.0
  O  O15  1  0.814  0.214  0.741  1.0
  O  O16  1  0.608  0.536  0.517  1.0
  O  O17  1  0.355  0.519  0.798  1.0
  O  O18  1  0.863  0.766  0.944  1.0
  O  O19  1  0.457  0.093  0.011  1.0
  O  O20  1  0.073  0.796  0.562  1.0
  O  O21  1  0.549  0.182  0.663  1.0
  O  O22  1  0.214  0.814  0.241  1.0
  O  O23  1  0.536  0.608  0.017  1.0
  O  O24  1  0.519  0.355  0.298  1.0
  O  O25  1  0.766  0.863  0.444  1.0
  O  O26  1  0.783  0.652  0.731  1.0
  O  O27  1  0.093  0.457  0.511  1.0
  F  F28  1  0.288  0.060  0.455  1.0
  F  F29  1  0.991  0.324  0.242  1.0
  F  F30  1  0.060  0.288  0.955  1.0
  F  F31  1  0.324  0.991  0.742  1.0
[/CIF]
.
The structure described by LiCrPO4F crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(7), one F(1), and one F(2) atom. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one F(1) atom to form LiO4F trigonal bipyramids that share  a cornercorner with one Cr(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one F(2) atom to form distorted CrO5F octahedra that share corners with two equivalent Cr(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(2)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-57°. In the second Cr site, Cr(2) is bonded to one O(2), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form distorted CrO4F2 octahedra that share corners with two equivalent Cr(1)O5F octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5F octahedra, corners with two equivalent Cr(2)O4F2 octahedra, corners with two equivalent Li(2)O4F trigonal bipyramids, and  an edgeedge with one Cr(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O4F2 octahedra, corners with two equivalent Cr(1)O5F octahedra, and corners with two equivalent Li(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cr(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   9.561
_cell_angle_alpha   64.226
_cell_angle_beta   64.226
_cell_angle_gamma   51.731
_symmetry_Int_Tables_number   1
_cell_volume   346.808
_cell_formula_units_Z   4
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  0.117  0.899  0.704  1.0
  Li  Li1  1  0.338  0.822  0.385  1.0
  Li  Li2  1  0.899  0.117  0.204  1.0
  Li  Li3  1  0.822  0.338  0.885  1.0
  Cr  Cr4  1  0.888  0.561  0.358  1.0
  Cr  Cr5  1  0.162  0.427  0.011  1.0
  Cr  Cr6  1  0.561  0.888  0.858  1.0
  Cr  Cr7  1  0.427  0.162  0.511  1.0
  P  P8  1  0.701  0.938  0.065  1.0
  P  P9  1  0.587  0.363  0.682  1.0
  P  P10  1  0.363  0.587  0.182  1.0
  P  P11  1  0.938  0.701  0.565  1.0
  O  O12  1  0.796  0.073  0.062  1.0
  O  O13  1  0.182  0.549  0.163  1.0
  O  O14  1  0.652  0.783  0.231  1.0
  O  O15  1  0.814  0.214  0.741  1.0
  O  O16  1  0.608  0.536  0.517  1.0
  O  O17  1  0.355  0.519  0.798  1.0
  O  O18  1  0.863  0.766  0.944  1.0
  O  O19  1  0.457  0.093  0.011  1.0
  O  O20  1  0.073  0.796  0.562  1.0
  O  O21  1  0.549  0.182  0.663  1.0
  O  O22  1  0.214  0.814  0.241  1.0
  O  O23  1  0.536  0.608  0.017  1.0
  O  O24  1  0.519  0.355  0.298  1.0
  O  O25  1  0.766  0.863  0.444  1.0
  O  O26  1  0.783  0.652  0.731  1.0
  O  O27  1  0.093  0.457  0.511  1.0
  F  F28  1  0.288  0.060  0.455  1.0
  F  F29  1  0.991  0.324  0.242  1.0
  F  F30  1  0.060  0.288  0.955  1.0
  F  F31  1  0.324  0.991  0.742  1.0
[/CIF]
.