The structure described by LiCu2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/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 twelve equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CuF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LiCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   5.031
_cell_length_c   5.167
_cell_angle_alpha   60.866
_cell_angle_beta   89.619
_cell_angle_gamma   89.217
_symmetry_Int_Tables_number   1
_cell_volume   101.283
_cell_formula_units_Z   1
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
  Cu  Cu0  1  1.000  0.334  0.332  1.0
  Cu  Cu1  1  0.000  0.666  0.668  1.0
  F  F2  1  0.235  0.647  0.347  1.0
  F  F3  1  0.767  0.658  1.000  1.0
  F  F4  1  0.233  0.342  0.000  1.0
  F  F5  1  0.235  0.994  0.653  1.0
  F  F6  1  0.765  0.006  0.347  1.0
  F  F7  1  0.765  0.353  0.653  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by LiCu2F6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/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 twelve equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CuF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_LiCu2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   5.031
_cell_length_c   5.167
_cell_angle_alpha   60.866
_cell_angle_beta   89.619
_cell_angle_gamma   89.217
_symmetry_Int_Tables_number   1
_cell_volume   101.283
_cell_formula_units_Z   1
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
  Cu  Cu0  1  1.000  0.334  0.332  1.0
  Cu  Cu1  1  0.000  0.666  0.668  1.0
  F  F2  1  0.235  0.647  0.347  1.0
  F  F3  1  0.767  0.658  1.000  1.0
  F  F4  1  0.233  0.342  0.000  1.0
  F  F5  1  0.235  0.994  0.653  1.0
  F  F6  1  0.765  0.006  0.347  1.0
  F  F7  1  0.765  0.353  0.653  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
[/CIF]
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