The material described by Li4Cu3F10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted corner-sharing CuF5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted linear geometry to two equivalent Cu(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Li4Cu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   5.657
_cell_length_c   8.199
_cell_angle_alpha   104.261
_cell_angle_beta   94.227
_cell_angle_gamma   114.360
_symmetry_Int_Tables_number   1
_cell_volume   217.925
_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  0.061  0.982  0.692  1.0
  Li  Li1  1  0.602  0.081  0.712  1.0
  Li  Li2  1  0.398  0.919  0.288  1.0
  Li  Li3  1  0.939  0.018  0.308  1.0
  Cu  Cu4  1  0.320  0.618  0.851  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.680  0.382  0.149  1.0
  F  F7  1  0.987  0.285  0.779  1.0
  F  F8  1  0.715  0.740  0.720  1.0
  F  F9  1  0.237  0.755  0.675  1.0
  F  F10  1  0.635  0.812  0.414  1.0
  F  F11  1  0.365  0.188  0.586  1.0
  F  F12  1  0.763  0.245  0.325  1.0
  F  F13  1  0.285  0.260  0.280  1.0
  F  F14  1  0.013  0.715  0.221  1.0
  F  F15  1  0.500  0.000  0.000  1.0
  F  F16  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by Li4Cu3F10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form distorted corner-sharing CuF5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(4) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cu(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(2) atom. In the fifth F site, F(5) is bonded in a distorted linear geometry to two equivalent Cu(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Li4Cu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   5.657
_cell_length_c   8.199
_cell_angle_alpha   104.261
_cell_angle_beta   94.227
_cell_angle_gamma   114.360
_symmetry_Int_Tables_number   1
_cell_volume   217.925
_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  0.061  0.982  0.692  1.0
  Li  Li1  1  0.602  0.081  0.712  1.0
  Li  Li2  1  0.398  0.919  0.288  1.0
  Li  Li3  1  0.939  0.018  0.308  1.0
  Cu  Cu4  1  0.320  0.618  0.851  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.680  0.382  0.149  1.0
  F  F7  1  0.987  0.285  0.779  1.0
  F  F8  1  0.715  0.740  0.720  1.0
  F  F9  1  0.237  0.755  0.675  1.0
  F  F10  1  0.635  0.812  0.414  1.0
  F  F11  1  0.365  0.188  0.586  1.0
  F  F12  1  0.763  0.245  0.325  1.0
  F  F13  1  0.285  0.260  0.280  1.0
  F  F14  1  0.013  0.715  0.221  1.0
  F  F15  1  0.500  0.000  0.000  1.0
  F  F16  1  0.500  0.500  0.000  1.0
[/CIF]
.