The compound described by LiCu3F10 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a T-shaped geometry to one F(1), one F(4), and one F(5) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(8) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. In the second Cu site, Cu(2) is bonded to one F(1), one F(2), one F(3), one F(7), and two equivalent F(9) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 1-41°. In the third Cu site, Cu(3) is bonded to one F(3), one F(4), one F(5), one F(6), and two equivalent F(10) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cu(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the ninth F site, F(9) is bonded in a linear geometry to two equivalent Cu(2) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Cu(3) atoms. is represented by the CIF card [CIF]
data_LiCu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   3.754
_cell_length_c   14.026
_cell_angle_alpha   89.836
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.738
_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  0.400  0.053  0.430  1.0
  Li  Li1  1  0.600  0.053  0.930  1.0
  Cu  Cu2  1  0.087  0.017  0.028  1.0
  Cu  Cu3  1  0.000  0.017  0.282  1.0
  Cu  Cu4  1  0.598  0.019  0.127  1.0
  Cu  Cu5  1  0.913  0.017  0.528  1.0
  Cu  Cu6  1  1.000  0.017  0.782  1.0
  Cu  Cu7  1  0.402  0.019  0.627  1.0
  F  F8  1  0.223  0.013  0.343  1.0
  F  F9  1  0.107  0.017  0.158  1.0
  F  F10  1  0.764  0.018  0.229  1.0
  F  F11  1  0.422  0.022  0.028  1.0
  F  F12  1  0.778  0.022  0.034  1.0
  F  F13  1  0.432  0.019  0.218  1.0
  F  F14  1  0.777  0.013  0.843  1.0
  F  F15  1  0.866  0.019  0.400  1.0
  F  F16  1  0.893  0.017  0.658  1.0
  F  F17  1  0.236  0.018  0.729  1.0
  F  F18  1  0.578  0.022  0.528  1.0
  F  F19  1  0.222  0.022  0.534  1.0
  F  F20  1  0.568  0.019  0.718  1.0
  F  F21  1  0.134  0.019  0.900  1.0
  F  F22  1  0.082  0.518  0.027  1.0
  F  F23  1  0.997  0.517  0.282  1.0
  F  F24  1  0.601  0.519  0.124  1.0
  F  F25  1  0.918  0.518  0.527  1.0
  F  F26  1  0.003  0.517  0.782  1.0
  F  F27  1  0.399  0.519  0.624  1.0
[/CIF]
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The compound described by LiCu3F10 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a T-shaped geometry to one F(1), one F(4), and one F(5) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(8) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. In the second Cu site, Cu(2) is bonded to one F(1), one F(2), one F(3), one F(7), and two equivalent F(9) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 1-41°. In the third Cu site, Cu(3) is bonded to one F(3), one F(4), one F(5), one F(6), and two equivalent F(10) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 3-48°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cu(2) and one Cu(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cu(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cu(1) and one Cu(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the ninth F site, F(9) is bonded in a linear geometry to two equivalent Cu(2) atoms. In the tenth F site, F(10) is bonded in a linear geometry to two equivalent Cu(3) atoms. is represented by the CIF card [CIF]
data_LiCu3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   3.754
_cell_length_c   14.026
_cell_angle_alpha   89.836
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.738
_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  0.400  0.053  0.430  1.0
  Li  Li1  1  0.600  0.053  0.930  1.0
  Cu  Cu2  1  0.087  0.017  0.028  1.0
  Cu  Cu3  1  0.000  0.017  0.282  1.0
  Cu  Cu4  1  0.598  0.019  0.127  1.0
  Cu  Cu5  1  0.913  0.017  0.528  1.0
  Cu  Cu6  1  1.000  0.017  0.782  1.0
  Cu  Cu7  1  0.402  0.019  0.627  1.0
  F  F8  1  0.223  0.013  0.343  1.0
  F  F9  1  0.107  0.017  0.158  1.0
  F  F10  1  0.764  0.018  0.229  1.0
  F  F11  1  0.422  0.022  0.028  1.0
  F  F12  1  0.778  0.022  0.034  1.0
  F  F13  1  0.432  0.019  0.218  1.0
  F  F14  1  0.777  0.013  0.843  1.0
  F  F15  1  0.866  0.019  0.400  1.0
  F  F16  1  0.893  0.017  0.658  1.0
  F  F17  1  0.236  0.018  0.729  1.0
  F  F18  1  0.578  0.022  0.528  1.0
  F  F19  1  0.222  0.022  0.534  1.0
  F  F20  1  0.568  0.019  0.718  1.0
  F  F21  1  0.134  0.019  0.900  1.0
  F  F22  1  0.082  0.518  0.027  1.0
  F  F23  1  0.997  0.517  0.282  1.0
  F  F24  1  0.601  0.519  0.124  1.0
  F  F25  1  0.918  0.518  0.527  1.0
  F  F26  1  0.003  0.517  0.782  1.0
  F  F27  1  0.399  0.519  0.624  1.0
[/CIF]
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