The material structure described by Li2Cu3F9 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 4-coordinate geometry to one F(1), one F(6), and two equivalent F(2) atoms. 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(7) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted hexagonal planar geometry to one F(8), one F(9), two equivalent F(4), and two equivalent F(5) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one F(6), one F(7), one F(8), and one F(9) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Li(2) and one Cu(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. is represented by the CIF card [CIF]
data_Li2Cu3F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   7.622
_cell_length_c   5.907
_cell_angle_alpha   100.948
_cell_angle_beta   94.775
_cell_angle_gamma   106.374
_symmetry_Int_Tables_number   1
_cell_volume   339.312
_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  0.553  0.873  0.157  1.0
  Li  Li1  1  0.238  0.126  0.077  1.0
  Li  Li2  1  0.762  0.874  0.923  1.0
  Li  Li3  1  0.447  0.127  0.843  1.0
  Cu  Cu4  1  0.819  0.436  0.038  1.0
  Cu  Cu5  1  0.989  0.749  0.497  1.0
  Cu  Cu6  1  0.476  0.742  0.488  1.0
  Cu  Cu7  1  0.524  0.258  0.512  1.0
  Cu  Cu8  1  0.011  0.251  0.503  1.0
  Cu  Cu9  1  0.181  0.564  0.962  1.0
  F  F10  1  0.675  0.648  0.064  1.0
  F  F11  1  0.677  0.131  0.040  1.0
  F  F12  1  0.018  0.281  0.010  1.0
  F  F13  1  0.944  0.974  0.332  1.0
  F  F14  1  0.947  0.469  0.334  1.0
  F  F15  1  0.387  0.654  0.253  1.0
  F  F16  1  0.436  0.141  0.279  1.0
  F  F17  1  0.701  0.665  0.490  1.0
  F  F18  1  0.742  0.174  0.511  1.0
  F  F19  1  0.258  0.826  0.489  1.0
  F  F20  1  0.299  0.335  0.510  1.0
  F  F21  1  0.564  0.859  0.721  1.0
  F  F22  1  0.613  0.346  0.747  1.0
  F  F23  1  0.053  0.531  0.666  1.0
  F  F24  1  0.056  0.026  0.668  1.0
  F  F25  1  0.982  0.719  0.990  1.0
  F  F26  1  0.323  0.869  0.960  1.0
  F  F27  1  0.325  0.352  0.936  1.0
[/CIF]
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The material structure described by Li2Cu3F9 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 4-coordinate geometry to one F(1), one F(6), and two equivalent F(2) atoms. 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(7) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(5), one F(6), and two equivalent F(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted hexagonal planar geometry to one F(8), one F(9), two equivalent F(4), and two equivalent F(5) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one F(6), one F(7), one F(8), and one F(9) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent Cu(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Li(2) and one Cu(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. is represented by the CIF card [CIF]
data_Li2Cu3F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   7.622
_cell_length_c   5.907
_cell_angle_alpha   100.948
_cell_angle_beta   94.775
_cell_angle_gamma   106.374
_symmetry_Int_Tables_number   1
_cell_volume   339.312
_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  0.553  0.873  0.157  1.0
  Li  Li1  1  0.238  0.126  0.077  1.0
  Li  Li2  1  0.762  0.874  0.923  1.0
  Li  Li3  1  0.447  0.127  0.843  1.0
  Cu  Cu4  1  0.819  0.436  0.038  1.0
  Cu  Cu5  1  0.989  0.749  0.497  1.0
  Cu  Cu6  1  0.476  0.742  0.488  1.0
  Cu  Cu7  1  0.524  0.258  0.512  1.0
  Cu  Cu8  1  0.011  0.251  0.503  1.0
  Cu  Cu9  1  0.181  0.564  0.962  1.0
  F  F10  1  0.675  0.648  0.064  1.0
  F  F11  1  0.677  0.131  0.040  1.0
  F  F12  1  0.018  0.281  0.010  1.0
  F  F13  1  0.944  0.974  0.332  1.0
  F  F14  1  0.947  0.469  0.334  1.0
  F  F15  1  0.387  0.654  0.253  1.0
  F  F16  1  0.436  0.141  0.279  1.0
  F  F17  1  0.701  0.665  0.490  1.0
  F  F18  1  0.742  0.174  0.511  1.0
  F  F19  1  0.258  0.826  0.489  1.0
  F  F20  1  0.299  0.335  0.510  1.0
  F  F21  1  0.564  0.859  0.721  1.0
  F  F22  1  0.613  0.346  0.747  1.0
  F  F23  1  0.053  0.531  0.666  1.0
  F  F24  1  0.056  0.026  0.668  1.0
  F  F25  1  0.982  0.719  0.990  1.0
  F  F26  1  0.323  0.869  0.960  1.0
  F  F27  1  0.325  0.352  0.936  1.0
[/CIF]
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