The compound described by Li4CuF7 crystallizes in the cubic F-43m space group. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with six equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li4CuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   145.405
_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
  Li  Li0  1  0.627  0.119  0.627  1.0
  Li  Li1  1  0.119  0.627  0.627  1.0
  Li  Li2  1  0.627  0.627  0.119  1.0
  Li  Li3  1  0.627  0.627  0.627  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.233  0.233  0.767  1.0
  F  F6  1  0.767  0.233  0.233  1.0
  F  F7  1  0.767  0.233  0.767  1.0
  F  F8  1  0.750  0.750  0.750  1.0
  F  F9  1  0.767  0.767  0.233  1.0
  F  F10  1  0.233  0.767  0.233  1.0
  F  F11  1  0.233  0.767  0.767  1.0
[/CIF]
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The compound described by Li4CuF7 crystallizes in the cubic F-43m space group. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with six equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Cu(1) is bonded to six equivalent F(1) atoms to form CuF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li4CuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.902
_cell_length_b   5.902
_cell_length_c   5.902
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   145.405
_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
  Li  Li0  1  0.627  0.119  0.627  1.0
  Li  Li1  1  0.119  0.627  0.627  1.0
  Li  Li2  1  0.627  0.627  0.119  1.0
  Li  Li3  1  0.627  0.627  0.627  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.233  0.233  0.767  1.0
  F  F6  1  0.767  0.233  0.233  1.0
  F  F7  1  0.767  0.233  0.767  1.0
  F  F8  1  0.750  0.750  0.750  1.0
  F  F9  1  0.767  0.767  0.233  1.0
  F  F10  1  0.233  0.767  0.233  1.0
  F  F11  1  0.233  0.767  0.767  1.0
[/CIF]
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