The structure described by KHfCuF7 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 10-coordinate geometry to one F(2), one F(6), two equivalent F(1), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. Hf(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Cu(1) is bonded to one F(1), one F(4), one F(6), one F(7), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Cu(1) atoms. In the second F site, F(7) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the third F site, F(1) is bonded to two equivalent K(1), one Hf(1), and one Cu(1) atom to form distorted FK2HfCu tetrahedra that share corners with six equivalent F(5)K2Hf2 tetrahedra and  an edgeedge with one F(1)K2HfCu tetrahedra. In the fourth F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent Hf(1) atoms. In the fifth F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one Hf(1), and one Cu(1) atom. In the sixth F site, F(4) is bonded in a distorted water-like geometry to two equivalent K(1), one Hf(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded to two equivalent K(1) and two equivalent Hf(1) atoms to form distorted FK2Hf2 tetrahedra that share corners with six equivalent F(1)K2HfCu tetrahedra and edges with two equivalent F(5)K2Hf2 tetrahedra. is represented by the CIF file [CIF]
data_KHfCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.564
_cell_length_b   7.564
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.976
_symmetry_Int_Tables_number   1
_cell_volume   522.945
_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
  K  K0  1  0.163  0.363  0.250  1.0
  K  K1  1  0.363  0.163  0.750  1.0
  K  K2  1  0.637  0.837  0.250  1.0
  K  K3  1  0.837  0.637  0.750  1.0
  Hf  Hf4  1  0.867  0.133  0.569  1.0
  Hf  Hf5  1  0.133  0.867  0.069  1.0
  Hf  Hf6  1  0.133  0.867  0.431  1.0
  Hf  Hf7  1  0.867  0.133  0.931  1.0
  Cu  Cu8  1  0.364  0.636  0.929  1.0
  Cu  Cu9  1  0.636  0.364  0.071  1.0
  Cu  Cu10  1  0.636  0.364  0.429  1.0
  Cu  Cu11  1  0.364  0.636  0.571  1.0
  F  F12  1  0.292  0.708  0.112  1.0
  F  F13  1  0.006  0.275  0.750  1.0
  F  F14  1  0.725  0.994  0.750  1.0
  F  F15  1  0.895  0.641  0.486  1.0
  F  F16  1  0.359  0.105  0.486  1.0
  F  F17  1  0.220  0.780  0.885  1.0
  F  F18  1  0.025  0.975  0.887  1.0
  F  F19  1  0.895  0.641  0.014  1.0
  F  F20  1  0.105  0.359  0.514  1.0
  F  F21  1  0.359  0.105  0.014  1.0
  F  F22  1  0.422  0.578  0.750  1.0
  F  F23  1  0.105  0.359  0.986  1.0
  F  F24  1  0.641  0.895  0.514  1.0
  F  F25  1  0.708  0.292  0.612  1.0
  F  F26  1  0.994  0.725  0.250  1.0
  F  F27  1  0.975  0.025  0.113  1.0
  F  F28  1  0.292  0.708  0.388  1.0
  F  F29  1  0.275  0.006  0.250  1.0
  F  F30  1  0.708  0.292  0.888  1.0
  F  F31  1  0.780  0.220  0.385  1.0
  F  F32  1  0.500  0.500  0.000  1.0
  F  F33  1  0.975  0.025  0.387  1.0
  F  F34  1  0.641  0.895  0.986  1.0
  F  F35  1  0.780  0.220  0.115  1.0
  F  F36  1  0.578  0.422  0.250  1.0
  F  F37  1  0.025  0.975  0.613  1.0
  F  F38  1  0.220  0.780  0.615  1.0
  F  F39  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by KHfCuF7 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 10-coordinate geometry to one F(2), one F(6), two equivalent F(1), two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. Hf(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Cu(1) is bonded to one F(1), one F(4), one F(6), one F(7), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Cu(1) atoms. In the second F site, F(7) is bonded in a linear geometry to two equivalent Cu(1) atoms. In the third F site, F(1) is bonded to two equivalent K(1), one Hf(1), and one Cu(1) atom to form distorted FK2HfCu tetrahedra that share corners with six equivalent F(5)K2Hf2 tetrahedra and  an edgeedge with one F(1)K2HfCu tetrahedra. In the fourth F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent Hf(1) atoms. In the fifth F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one Hf(1), and one Cu(1) atom. In the sixth F site, F(4) is bonded in a distorted water-like geometry to two equivalent K(1), one Hf(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded to two equivalent K(1) and two equivalent Hf(1) atoms to form distorted FK2Hf2 tetrahedra that share corners with six equivalent F(1)K2HfCu tetrahedra and edges with two equivalent F(5)K2Hf2 tetrahedra. is represented by the CIF file [CIF]
data_KHfCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.564
_cell_length_b   7.564
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.976
_symmetry_Int_Tables_number   1
_cell_volume   522.945
_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
  K  K0  1  0.163  0.363  0.250  1.0
  K  K1  1  0.363  0.163  0.750  1.0
  K  K2  1  0.637  0.837  0.250  1.0
  K  K3  1  0.837  0.637  0.750  1.0
  Hf  Hf4  1  0.867  0.133  0.569  1.0
  Hf  Hf5  1  0.133  0.867  0.069  1.0
  Hf  Hf6  1  0.133  0.867  0.431  1.0
  Hf  Hf7  1  0.867  0.133  0.931  1.0
  Cu  Cu8  1  0.364  0.636  0.929  1.0
  Cu  Cu9  1  0.636  0.364  0.071  1.0
  Cu  Cu10  1  0.636  0.364  0.429  1.0
  Cu  Cu11  1  0.364  0.636  0.571  1.0
  F  F12  1  0.292  0.708  0.112  1.0
  F  F13  1  0.006  0.275  0.750  1.0
  F  F14  1  0.725  0.994  0.750  1.0
  F  F15  1  0.895  0.641  0.486  1.0
  F  F16  1  0.359  0.105  0.486  1.0
  F  F17  1  0.220  0.780  0.885  1.0
  F  F18  1  0.025  0.975  0.887  1.0
  F  F19  1  0.895  0.641  0.014  1.0
  F  F20  1  0.105  0.359  0.514  1.0
  F  F21  1  0.359  0.105  0.014  1.0
  F  F22  1  0.422  0.578  0.750  1.0
  F  F23  1  0.105  0.359  0.986  1.0
  F  F24  1  0.641  0.895  0.514  1.0
  F  F25  1  0.708  0.292  0.612  1.0
  F  F26  1  0.994  0.725  0.250  1.0
  F  F27  1  0.975  0.025  0.113  1.0
  F  F28  1  0.292  0.708  0.388  1.0
  F  F29  1  0.275  0.006  0.250  1.0
  F  F30  1  0.708  0.292  0.888  1.0
  F  F31  1  0.780  0.220  0.385  1.0
  F  F32  1  0.500  0.500  0.000  1.0
  F  F33  1  0.975  0.025  0.387  1.0
  F  F34  1  0.641  0.895  0.986  1.0
  F  F35  1  0.780  0.220  0.115  1.0
  F  F36  1  0.578  0.422  0.250  1.0
  F  F37  1  0.025  0.975  0.613  1.0
  F  F38  1  0.220  0.780  0.615  1.0
  F  F39  1  0.500  0.500  0.500  1.0
[/CIF]
.