The material 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 44-55°. 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 44-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped 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 card [CIF]
data_Li2CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.540
_cell_length_b   4.534
_cell_length_c   8.771
_cell_angle_alpha   89.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.545
_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  1.000  0.006  0.335  1.0
  Li  Li1  1  0.500  0.506  0.835  1.0
  Li  Li2  1  0.000  0.994  0.665  1.0
  Li  Li3  1  0.500  0.494  0.165  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.693  0.305  0.653  1.0
  F  F7  1  0.193  0.195  0.847  1.0
  F  F8  1  0.284  0.717  0.001  1.0
  F  F9  1  0.784  0.783  0.499  1.0
  F  F10  1  0.716  0.283  0.999  1.0
  F  F11  1  0.216  0.217  0.501  1.0
  F  F12  1  0.194  0.195  0.155  1.0
  F  F13  1  0.694  0.305  0.345  1.0
  F  F14  1  0.806  0.805  0.845  1.0
  F  F15  1  0.306  0.695  0.655  1.0
  F  F16  1  0.807  0.805  0.153  1.0
  F  F17  1  0.307  0.695  0.347  1.0
[/CIF]
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The material 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 44-55°. 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 44-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped 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 card [CIF]
data_Li2CrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.540
_cell_length_b   4.534
_cell_length_c   8.771
_cell_angle_alpha   89.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.545
_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  1.000  0.006  0.335  1.0
  Li  Li1  1  0.500  0.506  0.835  1.0
  Li  Li2  1  0.000  0.994  0.665  1.0
  Li  Li3  1  0.500  0.494  0.165  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.693  0.305  0.653  1.0
  F  F7  1  0.193  0.195  0.847  1.0
  F  F8  1  0.284  0.717  0.001  1.0
  F  F9  1  0.784  0.783  0.499  1.0
  F  F10  1  0.716  0.283  0.999  1.0
  F  F11  1  0.216  0.217  0.501  1.0
  F  F12  1  0.194  0.195  0.155  1.0
  F  F13  1  0.694  0.305  0.345  1.0
  F  F14  1  0.806  0.805  0.845  1.0
  F  F15  1  0.306  0.695  0.655  1.0
  F  F16  1  0.807  0.805  0.153  1.0
  F  F17  1  0.307  0.695  0.347  1.0
[/CIF]
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