The compound described by Li3Cu4F9 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(5) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom to form distorted CuF6 octahedra that share corners with three equivalent Cu(4)F6 octahedra and  an edgeedge with one Cu(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-47°. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one F(4), one F(6), one F(7), one F(8), and one F(9) atom. In the third Cu site, Cu(3) is bonded to one F(4), one F(5), one F(6), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing CuF5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-53°. In the fourth Cu site, Cu(4) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CuF6 octahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with three equivalent Cu(3)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-47°. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Cu(1), and one Cu(4) atom to form distorted FLi2Cu2 trigonal pyramids that share corners with two equivalent F(9)LiCu3 tetrahedra,  a cornercorner with one F(5)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(5)Li2Cu2 trigonal pyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Cu(3), and one Cu(4) atom to form FLi2Cu2 trigonal pyramids that share corners with three equivalent F(9)LiCu3 tetrahedra,  a cornercorner with one F(1)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(1)Li2Cu2 trigonal pyramid. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(2), one Cu(2), one Cu(3), and one Cu(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the ninth F site, F(9) is bonded to one Li(2), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing FLiCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu4F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.253
_cell_length_c   8.090
_cell_angle_alpha   85.516
_cell_angle_beta   106.534
_cell_angle_gamma   119.661
_symmetry_Int_Tables_number   1
_cell_volume   184.436
_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  0.032  0.997  0.995  1.0
  Li  Li1  1  0.600  0.805  0.442  1.0
  Li  Li2  1  0.837  0.415  0.288  1.0
  Cu  Cu3  1  0.393  0.698  0.062  1.0
  Cu  Cu4  1  0.563  0.242  0.753  1.0
  Cu  Cu5  1  0.061  0.481  0.687  1.0
  Cu  Cu6  1  0.224  0.118  0.373  1.0
  F  F7  1  0.188  0.452  0.233  1.0
  F  F8  1  0.791  0.749  0.216  1.0
  F  F9  1  0.433  0.082  0.214  1.0
  F  F10  1  0.995  0.649  0.905  1.0
  F  F11  1  0.975  0.185  0.493  1.0
  F  F12  1  0.682  0.503  0.544  1.0
  F  F13  1  0.634  0.974  0.915  1.0
  F  F14  1  0.273  0.304  0.858  1.0
  F  F15  1  0.336  0.854  0.549  1.0
[/CIF]
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The compound described by Li3Cu4F9 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(5) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom to form distorted CuF6 octahedra that share corners with three equivalent Cu(4)F6 octahedra and  an edgeedge with one Cu(3)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-47°. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one F(4), one F(6), one F(7), one F(8), and one F(9) atom. In the third Cu site, Cu(3) is bonded to one F(4), one F(5), one F(6), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing CuF5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-53°. In the fourth Cu site, Cu(4) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(9) atom to form CuF6 octahedra that share corners with three equivalent Cu(1)F6 octahedra and corners with three equivalent Cu(3)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-47°. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), one Li(3), one Cu(1), and one Cu(4) atom to form distorted FLi2Cu2 trigonal pyramids that share corners with two equivalent F(9)LiCu3 tetrahedra,  a cornercorner with one F(5)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(5)Li2Cu2 trigonal pyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Cu(3), and one Cu(4) atom to form FLi2Cu2 trigonal pyramids that share corners with three equivalent F(9)LiCu3 tetrahedra,  a cornercorner with one F(1)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(1)Li2Cu2 trigonal pyramid. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Li(2), one Cu(2), one Cu(3), and one Cu(4) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the ninth F site, F(9) is bonded to one Li(2), one Cu(2), one Cu(3), and one Cu(4) atom to form distorted corner-sharing FLiCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu4F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.253
_cell_length_c   8.090
_cell_angle_alpha   85.516
_cell_angle_beta   106.534
_cell_angle_gamma   119.661
_symmetry_Int_Tables_number   1
_cell_volume   184.436
_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  0.032  0.997  0.995  1.0
  Li  Li1  1  0.600  0.805  0.442  1.0
  Li  Li2  1  0.837  0.415  0.288  1.0
  Cu  Cu3  1  0.393  0.698  0.062  1.0
  Cu  Cu4  1  0.563  0.242  0.753  1.0
  Cu  Cu5  1  0.061  0.481  0.687  1.0
  Cu  Cu6  1  0.224  0.118  0.373  1.0
  F  F7  1  0.188  0.452  0.233  1.0
  F  F8  1  0.791  0.749  0.216  1.0
  F  F9  1  0.433  0.082  0.214  1.0
  F  F10  1  0.995  0.649  0.905  1.0
  F  F11  1  0.975  0.185  0.493  1.0
  F  F12  1  0.682  0.503  0.544  1.0
  F  F13  1  0.634  0.974  0.915  1.0
  F  F14  1  0.273  0.304  0.858  1.0
  F  F15  1  0.336  0.854  0.549  1.0
[/CIF]
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