The structure described by Li2CrF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Cr(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Li2CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.661
_cell_length_c   8.996
_cell_angle_alpha   90.382
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.962
_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  0.481  0.505  0.166  1.0
  Li  Li1  1  0.981  0.995  0.334  1.0
  Li  Li2  1  0.519  0.495  0.834  1.0
  Li  Li3  1  0.019  0.005  0.666  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.500  1.0
  F  F6  1  0.780  0.779  0.500  1.0
  F  F7  1  0.720  0.279  0.000  1.0
  F  F8  1  0.280  0.721  1.000  1.0
  F  F9  1  0.307  0.693  0.349  1.0
  F  F10  1  0.807  0.807  0.151  1.0
  F  F11  1  0.188  0.193  0.153  1.0
  F  F12  1  0.312  0.693  0.653  1.0
  F  F13  1  0.693  0.307  0.651  1.0
  F  F14  1  0.812  0.807  0.847  1.0
  F  F15  1  0.220  0.221  0.500  1.0
  F  F16  1  0.193  0.193  0.849  1.0
  F  F17  1  0.688  0.307  0.347  1.0
[/CIF]
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The structure described by Li2CrF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Cr(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Li2CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   4.661
_cell_length_c   8.996
_cell_angle_alpha   90.382
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.962
_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  0.481  0.505  0.166  1.0
  Li  Li1  1  0.981  0.995  0.334  1.0
  Li  Li2  1  0.519  0.495  0.834  1.0
  Li  Li3  1  0.019  0.005  0.666  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.500  1.0
  F  F6  1  0.780  0.779  0.500  1.0
  F  F7  1  0.720  0.279  0.000  1.0
  F  F8  1  0.280  0.721  1.000  1.0
  F  F9  1  0.307  0.693  0.349  1.0
  F  F10  1  0.807  0.807  0.151  1.0
  F  F11  1  0.188  0.193  0.153  1.0
  F  F12  1  0.312  0.693  0.653  1.0
  F  F13  1  0.693  0.307  0.651  1.0
  F  F14  1  0.812  0.807  0.847  1.0
  F  F15  1  0.220  0.221  0.500  1.0
  F  F16  1  0.193  0.193  0.849  1.0
  F  F17  1  0.688  0.307  0.347  1.0
[/CIF]
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