The material structure described by CsCu2F5 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), and three equivalent F(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form CuF5 square pyramids that share  a cornercorner with one Cu(3)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(1)F5 square pyramids, and  an edgeedge with one Cu(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-73°. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(3)F6 octahedra and corners with four equivalent Cu(1)F5 square pyramids. The corner-sharing octahedral tilt angles are 44°. In the third Cu site, Cu(3) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(1)F5 square pyramids, and edges with two equivalent Cu(1)F5 square pyramids. The corner-sharing octahedral tilt angles are 44°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Cu(3), and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(2), and one Cu(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.115
_cell_length_c   11.046
_cell_angle_alpha   57.895
_cell_angle_beta   90.021
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   489.742
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.474  0.377  0.881  1.0
  Cs  Cs1  1  0.026  0.377  0.381  1.0
  Cs  Cs2  1  0.526  0.623  0.119  1.0
  Cs  Cs3  1  0.974  0.623  0.619  1.0
  Cu  Cu4  1  0.230  0.003  0.763  1.0
  Cu  Cu5  1  0.770  0.997  0.237  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.270  0.003  0.263  1.0
  Cu  Cu8  1  0.730  0.997  0.737  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.280  0.306  0.653  1.0
  F  F13  1  0.474  0.923  0.742  1.0
  F  F14  1  0.720  0.694  0.347  1.0
  F  F15  1  0.824  0.305  0.145  1.0
  F  F16  1  0.251  0.979  0.471  1.0
  F  F17  1  0.526  0.077  0.258  1.0
  F  F18  1  0.751  0.021  0.028  1.0
  F  F19  1  0.028  0.311  0.926  1.0
  F  F20  1  0.472  0.312  0.426  1.0
  F  F21  1  0.975  0.077  0.757  1.0
  F  F22  1  0.675  0.305  0.645  1.0
  F  F23  1  0.025  0.923  0.243  1.0
  F  F24  1  0.972  0.689  0.074  1.0
  F  F25  1  0.249  0.979  0.972  1.0
  F  F26  1  0.528  0.688  0.574  1.0
  F  F27  1  0.779  0.695  0.847  1.0
  F  F28  1  0.221  0.305  0.153  1.0
  F  F29  1  0.749  0.021  0.529  1.0
  F  F30  1  0.325  0.695  0.355  1.0
  F  F31  1  0.176  0.695  0.855  1.0
[/CIF]
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The material structure described by CsCu2F5 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), and three equivalent F(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form CuF5 square pyramids that share  a cornercorner with one Cu(3)F6 octahedra, corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(1)F5 square pyramids, and  an edgeedge with one Cu(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-73°. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(3)F6 octahedra and corners with four equivalent Cu(1)F5 square pyramids. The corner-sharing octahedral tilt angles are 44°. In the third Cu site, Cu(3) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra, corners with two equivalent Cu(1)F5 square pyramids, and edges with two equivalent Cu(1)F5 square pyramids. The corner-sharing octahedral tilt angles are 44°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to three equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Cu(3), and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Cu(1), and one Cu(3) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(2), and one Cu(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCu2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.115
_cell_length_c   11.046
_cell_angle_alpha   57.895
_cell_angle_beta   90.021
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   489.742
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.474  0.377  0.881  1.0
  Cs  Cs1  1  0.026  0.377  0.381  1.0
  Cs  Cs2  1  0.526  0.623  0.119  1.0
  Cs  Cs3  1  0.974  0.623  0.619  1.0
  Cu  Cu4  1  0.230  0.003  0.763  1.0
  Cu  Cu5  1  0.770  0.997  0.237  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.270  0.003  0.263  1.0
  Cu  Cu8  1  0.730  0.997  0.737  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.280  0.306  0.653  1.0
  F  F13  1  0.474  0.923  0.742  1.0
  F  F14  1  0.720  0.694  0.347  1.0
  F  F15  1  0.824  0.305  0.145  1.0
  F  F16  1  0.251  0.979  0.471  1.0
  F  F17  1  0.526  0.077  0.258  1.0
  F  F18  1  0.751  0.021  0.028  1.0
  F  F19  1  0.028  0.311  0.926  1.0
  F  F20  1  0.472  0.312  0.426  1.0
  F  F21  1  0.975  0.077  0.757  1.0
  F  F22  1  0.675  0.305  0.645  1.0
  F  F23  1  0.025  0.923  0.243  1.0
  F  F24  1  0.972  0.689  0.074  1.0
  F  F25  1  0.249  0.979  0.972  1.0
  F  F26  1  0.528  0.688  0.574  1.0
  F  F27  1  0.779  0.695  0.847  1.0
  F  F28  1  0.221  0.305  0.153  1.0
  F  F29  1  0.749  0.021  0.529  1.0
  F  F30  1  0.325  0.695  0.355  1.0
  F  F31  1  0.176  0.695  0.855  1.0
[/CIF]
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