The compound described by Li2Cu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form distorted LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with four equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(1)F5 trigonal bipyramids. Cu(1) is bonded to one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form distorted CuF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra, corners with five equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted tetrahedral geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   7.254
_cell_angle_alpha   77.429
_cell_angle_beta   77.429
_cell_angle_gamma   91.088
_symmetry_Int_Tables_number   1
_cell_volume   213.386
_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  0.275  0.746  0.979  1.0
  Li  Li1  1  0.254  0.725  0.521  1.0
  Li  Li2  1  0.746  0.275  0.479  1.0
  Li  Li3  1  0.725  0.254  0.021  1.0
  Cu  Cu4  1  0.791  0.798  0.879  1.0
  Cu  Cu5  1  0.798  0.791  0.379  1.0
  Cu  Cu6  1  0.202  0.209  0.621  1.0
  Cu  Cu7  1  0.209  0.202  0.121  1.0
  F  F8  1  0.500  0.000  0.000  1.0
  F  F9  1  0.715  0.927  0.620  1.0
  F  F10  1  0.160  0.840  0.750  1.0
  F  F11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.927  0.715  0.120  1.0
  F  F13  1  0.000  0.500  0.500  1.0
  F  F14  1  0.500  0.500  0.500  1.0
  F  F15  1  0.073  0.285  0.880  1.0
  F  F16  1  0.840  0.160  0.250  1.0
  F  F17  1  0.285  0.073  0.380  1.0
[/CIF]
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The compound described by Li2Cu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form distorted LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with four equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Cu(1)F5 trigonal bipyramids. Cu(1) is bonded to one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form distorted CuF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra, corners with five equivalent Cu(1)F5 trigonal bipyramids, and edges with two equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted tetrahedral geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li2Cu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   7.254
_cell_angle_alpha   77.429
_cell_angle_beta   77.429
_cell_angle_gamma   91.088
_symmetry_Int_Tables_number   1
_cell_volume   213.386
_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  0.275  0.746  0.979  1.0
  Li  Li1  1  0.254  0.725  0.521  1.0
  Li  Li2  1  0.746  0.275  0.479  1.0
  Li  Li3  1  0.725  0.254  0.021  1.0
  Cu  Cu4  1  0.791  0.798  0.879  1.0
  Cu  Cu5  1  0.798  0.791  0.379  1.0
  Cu  Cu6  1  0.202  0.209  0.621  1.0
  Cu  Cu7  1  0.209  0.202  0.121  1.0
  F  F8  1  0.500  0.000  0.000  1.0
  F  F9  1  0.715  0.927  0.620  1.0
  F  F10  1  0.160  0.840  0.750  1.0
  F  F11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.927  0.715  0.120  1.0
  F  F13  1  0.000  0.500  0.500  1.0
  F  F14  1  0.500  0.500  0.500  1.0
  F  F15  1  0.073  0.285  0.880  1.0
  F  F16  1  0.840  0.160  0.250  1.0
  F  F17  1  0.285  0.073  0.380  1.0
[/CIF]
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