The structure described by CsCoCuF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-68°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-70°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_CsCoCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   120.559
_cell_angle_beta   118.667
_cell_angle_gamma   90.679
_symmetry_Int_Tables_number   1
_cell_volume   282.016
_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
  Cs  Cs0  1  0.624  0.874  0.750  1.0
  Cs  Cs1  1  0.376  0.126  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.071  0.821  0.250  1.0
  F  F7  1  0.681  0.431  0.250  1.0
  F  F8  1  0.068  0.819  0.637  1.0
  F  F9  1  0.682  0.431  0.863  1.0
  F  F10  1  0.682  0.819  0.251  1.0
  F  F11  1  0.068  0.431  0.249  1.0
  F  F12  1  0.929  0.179  0.750  1.0
  F  F13  1  0.319  0.569  0.750  1.0
  F  F14  1  0.932  0.181  0.363  1.0
  F  F15  1  0.318  0.569  0.137  1.0
  F  F16  1  0.318  0.181  0.749  1.0
  F  F17  1  0.932  0.569  0.751  1.0
[/CIF]
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The structure described by CsCoCuF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Co(1)F6 octahedra and corners with six equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. Co(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Cu(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-68°. Cu(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form CuF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-70°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Co(1) atoms. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_CsCoCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   7.348
_cell_angle_alpha   120.559
_cell_angle_beta   118.667
_cell_angle_gamma   90.679
_symmetry_Int_Tables_number   1
_cell_volume   282.016
_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
  Cs  Cs0  1  0.624  0.874  0.750  1.0
  Cs  Cs1  1  0.376  0.126  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.071  0.821  0.250  1.0
  F  F7  1  0.681  0.431  0.250  1.0
  F  F8  1  0.068  0.819  0.637  1.0
  F  F9  1  0.682  0.431  0.863  1.0
  F  F10  1  0.682  0.819  0.251  1.0
  F  F11  1  0.068  0.431  0.249  1.0
  F  F12  1  0.929  0.179  0.750  1.0
  F  F13  1  0.319  0.569  0.750  1.0
  F  F14  1  0.932  0.181  0.363  1.0
  F  F15  1  0.318  0.569  0.137  1.0
  F  F16  1  0.318  0.181  0.749  1.0
  F  F17  1  0.932  0.569  0.751  1.0
[/CIF]
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