The material structure described by LiCu2F5 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, and edges with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. Cu(1) is bonded to one F(3), two equivalent F(1), and three equivalent F(2) atoms to form distorted CuF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and edges with three equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-53°. 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 to one Li(1) and three equivalent Cu(1) atoms to form distorted FLiCu3 trigonal pyramids that share  a cornercorner with one F(3)Li2Cu2 tetrahedra, corners with three equivalent F(2)LiCu3 trigonal pyramids, edges with two equivalent F(3)Li2Cu2 tetrahedra, and edges with two equivalent F(2)LiCu3 trigonal pyramids. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent Cu(1) atoms to form distorted FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu2 tetrahedra, corners with two equivalent F(2)LiCu3 trigonal pyramids, and edges with four equivalent F(2)LiCu3 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.317
_symmetry_Int_Tables_number   1
_cell_volume   200.101
_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  0.195  0.805  0.250  1.0
  Li  Li1  1  0.805  0.195  0.750  1.0
  Cu  Cu2  1  0.134  0.866  0.931  1.0
  Cu  Cu3  1  0.134  0.866  0.569  1.0
  Cu  Cu4  1  0.866  0.134  0.069  1.0
  Cu  Cu5  1  0.866  0.134  0.431  1.0
  F  F6  1  0.065  0.935  0.110  1.0
  F  F7  1  0.065  0.935  0.390  1.0
  F  F8  1  0.325  0.675  0.069  1.0
  F  F9  1  0.325  0.675  0.431  1.0
  F  F10  1  0.219  0.781  0.750  1.0
  F  F11  1  0.781  0.219  0.250  1.0
  F  F12  1  0.675  0.325  0.569  1.0
  F  F13  1  0.675  0.325  0.931  1.0
  F  F14  1  0.935  0.065  0.890  1.0
  F  F15  1  0.935  0.065  0.610  1.0
[/CIF]
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The material structure described by LiCu2F5 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)F6 octahedra, corners with two equivalent Cu(1)F6 octahedra, and edges with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. Cu(1) is bonded to one F(3), two equivalent F(1), and three equivalent F(2) atoms to form distorted CuF6 octahedra that share  a cornercorner with one Li(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra, edges with three equivalent Li(1)F6 octahedra, and edges with three equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 25-53°. 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 to one Li(1) and three equivalent Cu(1) atoms to form distorted FLiCu3 trigonal pyramids that share  a cornercorner with one F(3)Li2Cu2 tetrahedra, corners with three equivalent F(2)LiCu3 trigonal pyramids, edges with two equivalent F(3)Li2Cu2 tetrahedra, and edges with two equivalent F(2)LiCu3 trigonal pyramids. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent Cu(1) atoms to form distorted FLi2Cu2 tetrahedra that share corners with two equivalent F(3)Li2Cu2 tetrahedra, corners with two equivalent F(2)LiCu3 trigonal pyramids, and edges with four equivalent F(2)LiCu3 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.571
_cell_length_b   5.571
_cell_length_c   9.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   139.317
_symmetry_Int_Tables_number   1
_cell_volume   200.101
_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  0.195  0.805  0.250  1.0
  Li  Li1  1  0.805  0.195  0.750  1.0
  Cu  Cu2  1  0.134  0.866  0.931  1.0
  Cu  Cu3  1  0.134  0.866  0.569  1.0
  Cu  Cu4  1  0.866  0.134  0.069  1.0
  Cu  Cu5  1  0.866  0.134  0.431  1.0
  F  F6  1  0.065  0.935  0.110  1.0
  F  F7  1  0.065  0.935  0.390  1.0
  F  F8  1  0.325  0.675  0.069  1.0
  F  F9  1  0.325  0.675  0.431  1.0
  F  F10  1  0.219  0.781  0.750  1.0
  F  F11  1  0.781  0.219  0.250  1.0
  F  F12  1  0.675  0.325  0.569  1.0
  F  F13  1  0.675  0.325  0.931  1.0
  F  F14  1  0.935  0.065  0.890  1.0
  F  F15  1  0.935  0.065  0.610  1.0
[/CIF]
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