The material described by Li4CuF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Cu(1)F5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(2), one F(4), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Cu(1)F5 trigonal bipyramids. Cu(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CuF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. There are four 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 trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.587
_cell_length_b   7.587
_cell_length_c   5.332
_cell_angle_alpha   80.995
_cell_angle_beta   80.995
_cell_angle_gamma   72.199
_symmetry_Int_Tables_number   1
_cell_volume   286.712
_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  0.943  0.761  0.808  1.0
  Li  Li1  1  0.761  0.943  0.308  1.0
  Li  Li2  1  0.697  0.572  0.258  1.0
  Li  Li3  1  0.572  0.697  0.758  1.0
  Li  Li4  1  0.428  0.303  0.242  1.0
  Li  Li5  1  0.303  0.428  0.742  1.0
  Li  Li6  1  0.239  0.057  0.692  1.0
  Li  Li7  1  0.057  0.239  0.192  1.0
  Cu  Cu8  1  0.762  0.238  0.750  1.0
  Cu  Cu9  1  0.238  0.762  0.250  1.0
  F  F10  1  0.999  0.186  0.867  1.0
  F  F11  1  0.846  0.341  0.419  1.0
  F  F12  1  0.782  0.626  0.924  1.0
  F  F13  1  0.626  0.782  0.424  1.0
  F  F14  1  0.814  0.001  0.633  1.0
  F  F15  1  0.659  0.154  0.081  1.0
  F  F16  1  0.553  0.447  0.750  1.0
  F  F17  1  0.447  0.553  0.250  1.0
  F  F18  1  0.341  0.846  0.919  1.0
  F  F19  1  0.186  0.999  0.367  1.0
  F  F20  1  0.374  0.218  0.576  1.0
  F  F21  1  0.218  0.374  0.076  1.0
  F  F22  1  0.154  0.659  0.581  1.0
  F  F23  1  0.001  0.814  0.133  1.0
[/CIF]
.
The material described by Li4CuF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Cu(1)F5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(2), one F(4), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Cu(1)F5 trigonal bipyramids. Cu(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(2) atoms to form CuF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. There are four 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 trigonal planar geometry to one Li(1), one Li(2), and one Cu(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.587
_cell_length_b   7.587
_cell_length_c   5.332
_cell_angle_alpha   80.995
_cell_angle_beta   80.995
_cell_angle_gamma   72.199
_symmetry_Int_Tables_number   1
_cell_volume   286.712
_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  0.943  0.761  0.808  1.0
  Li  Li1  1  0.761  0.943  0.308  1.0
  Li  Li2  1  0.697  0.572  0.258  1.0
  Li  Li3  1  0.572  0.697  0.758  1.0
  Li  Li4  1  0.428  0.303  0.242  1.0
  Li  Li5  1  0.303  0.428  0.742  1.0
  Li  Li6  1  0.239  0.057  0.692  1.0
  Li  Li7  1  0.057  0.239  0.192  1.0
  Cu  Cu8  1  0.762  0.238  0.750  1.0
  Cu  Cu9  1  0.238  0.762  0.250  1.0
  F  F10  1  0.999  0.186  0.867  1.0
  F  F11  1  0.846  0.341  0.419  1.0
  F  F12  1  0.782  0.626  0.924  1.0
  F  F13  1  0.626  0.782  0.424  1.0
  F  F14  1  0.814  0.001  0.633  1.0
  F  F15  1  0.659  0.154  0.081  1.0
  F  F16  1  0.553  0.447  0.750  1.0
  F  F17  1  0.447  0.553  0.250  1.0
  F  F18  1  0.341  0.846  0.919  1.0
  F  F19  1  0.186  0.999  0.367  1.0
  F  F20  1  0.374  0.218  0.576  1.0
  F  F21  1  0.218  0.374  0.076  1.0
  F  F22  1  0.154  0.659  0.581  1.0
  F  F23  1  0.001  0.814  0.133  1.0
[/CIF]
.