The structure described by LiCu3F10 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a water-like geometry to two equivalent F(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Cu(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Cu site, Cu(2) is bonded to one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted CuF7 pentagonal bipyramids that share corners with two equivalent Cu(1)F6 octahedra, corners with three equivalent Cu(2)F7 pentagonal bipyramids, and  an edgeedge with one Cu(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Cu(2) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cu(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_LiCu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.970
_cell_length_b   7.120
_cell_length_c   7.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.580
_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  0.000  0.678  0.750  1.0
  Li  Li1  1  0.000  0.322  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.768  0.000  0.000  1.0
  Cu  Cu4  1  0.768  0.000  0.500  1.0
  Cu  Cu5  1  0.232  0.000  0.000  1.0
  Cu  Cu6  1  0.232  0.000  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.500  0.573  0.250  1.0
  F  F9  1  0.500  0.427  0.750  1.0
  F  F10  1  0.500  0.000  0.000  1.0
  F  F11  1  0.690  0.672  0.954  1.0
  F  F12  1  0.690  0.328  0.046  1.0
  F  F13  1  0.690  0.672  0.546  1.0
  F  F14  1  0.690  0.328  0.454  1.0
  F  F15  1  0.774  0.058  0.750  1.0
  F  F16  1  0.774  0.942  0.250  1.0
  F  F17  1  0.000  0.834  0.959  1.0
  F  F18  1  0.000  0.166  0.041  1.0
  F  F19  1  0.000  0.834  0.541  1.0
  F  F20  1  0.000  0.166  0.459  1.0
  F  F21  1  0.226  0.942  0.250  1.0
  F  F22  1  0.226  0.058  0.750  1.0
  F  F23  1  0.310  0.672  0.954  1.0
  F  F24  1  0.310  0.328  0.046  1.0
  F  F25  1  0.310  0.672  0.546  1.0
  F  F26  1  0.310  0.328  0.454  1.0
  F  F27  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by LiCu3F10 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a water-like geometry to two equivalent F(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra and corners with four equivalent Cu(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Cu site, Cu(2) is bonded to one F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted CuF7 pentagonal bipyramids that share corners with two equivalent Cu(1)F6 octahedra, corners with three equivalent Cu(2)F7 pentagonal bipyramids, and  an edgeedge with one Cu(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Cu(2) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cu(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_LiCu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.970
_cell_length_b   7.120
_cell_length_c   7.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.580
_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  0.000  0.678  0.750  1.0
  Li  Li1  1  0.000  0.322  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.768  0.000  0.000  1.0
  Cu  Cu4  1  0.768  0.000  0.500  1.0
  Cu  Cu5  1  0.232  0.000  0.000  1.0
  Cu  Cu6  1  0.232  0.000  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.500  0.573  0.250  1.0
  F  F9  1  0.500  0.427  0.750  1.0
  F  F10  1  0.500  0.000  0.000  1.0
  F  F11  1  0.690  0.672  0.954  1.0
  F  F12  1  0.690  0.328  0.046  1.0
  F  F13  1  0.690  0.672  0.546  1.0
  F  F14  1  0.690  0.328  0.454  1.0
  F  F15  1  0.774  0.058  0.750  1.0
  F  F16  1  0.774  0.942  0.250  1.0
  F  F17  1  0.000  0.834  0.959  1.0
  F  F18  1  0.000  0.166  0.041  1.0
  F  F19  1  0.000  0.834  0.541  1.0
  F  F20  1  0.000  0.166  0.459  1.0
  F  F21  1  0.226  0.942  0.250  1.0
  F  F22  1  0.226  0.058  0.750  1.0
  F  F23  1  0.310  0.672  0.954  1.0
  F  F24  1  0.310  0.328  0.046  1.0
  F  F25  1  0.310  0.672  0.546  1.0
  F  F26  1  0.310  0.328  0.454  1.0
  F  F27  1  0.500  0.000  0.500  1.0
[/CIF]
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