The crystal structure described by Li2Cu2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to one F(1), two equivalent F(3), and three equivalent F(2) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one F(1), one F(2), and one F(5) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one F(3), one F(4), and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one Cu(1) atom to form corner-sharing FLi3Cu trigonal pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(2) and one Cu(1) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   6.936
_cell_length_c   10.150
_cell_angle_alpha   93.189
_cell_angle_beta   90.031
_cell_angle_gamma   97.006
_symmetry_Int_Tables_number   1
_cell_volume   209.727
_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  0.308  0.804  0.685  1.0
  Li  Li1  1  0.239  0.413  0.109  1.0
  Li  Li2  1  0.761  0.587  0.891  1.0
  Li  Li3  1  0.692  0.196  0.315  1.0
  Cu  Cu4  1  0.247  0.904  0.114  1.0
  Cu  Cu5  1  0.238  0.348  0.615  1.0
  Cu  Cu6  1  0.762  0.652  0.385  1.0
  Cu  Cu7  1  0.753  0.096  0.886  1.0
  F  F8  1  0.168  0.151  0.180  1.0
  F  F9  1  0.291  0.666  0.025  1.0
  F  F10  1  0.236  0.524  0.762  1.0
  F  F11  1  0.211  0.268  0.438  1.0
  F  F12  1  0.545  0.866  0.293  1.0
  F  F13  1  0.455  0.134  0.707  1.0
  F  F14  1  0.789  0.732  0.562  1.0
  F  F15  1  0.764  0.476  0.238  1.0
  F  F16  1  0.709  0.334  0.975  1.0
  F  F17  1  0.832  0.849  0.820  1.0
[/CIF]
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The crystal structure described by Li2Cu2F5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(3), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to one F(1), two equivalent F(3), and three equivalent F(2) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one F(1), one F(2), and one F(5) atom. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one F(3), one F(4), and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one Cu(1) atom to form corner-sharing FLi3Cu trigonal pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(2) and one Cu(1) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   6.936
_cell_length_c   10.150
_cell_angle_alpha   93.189
_cell_angle_beta   90.031
_cell_angle_gamma   97.006
_symmetry_Int_Tables_number   1
_cell_volume   209.727
_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  0.308  0.804  0.685  1.0
  Li  Li1  1  0.239  0.413  0.109  1.0
  Li  Li2  1  0.761  0.587  0.891  1.0
  Li  Li3  1  0.692  0.196  0.315  1.0
  Cu  Cu4  1  0.247  0.904  0.114  1.0
  Cu  Cu5  1  0.238  0.348  0.615  1.0
  Cu  Cu6  1  0.762  0.652  0.385  1.0
  Cu  Cu7  1  0.753  0.096  0.886  1.0
  F  F8  1  0.168  0.151  0.180  1.0
  F  F9  1  0.291  0.666  0.025  1.0
  F  F10  1  0.236  0.524  0.762  1.0
  F  F11  1  0.211  0.268  0.438  1.0
  F  F12  1  0.545  0.866  0.293  1.0
  F  F13  1  0.455  0.134  0.707  1.0
  F  F14  1  0.789  0.732  0.562  1.0
  F  F15  1  0.764  0.476  0.238  1.0
  F  F16  1  0.709  0.334  0.975  1.0
  F  F17  1  0.832  0.849  0.820  1.0
[/CIF]
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