The crystal structure described by K2CuF4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), and six equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing FK4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to six equivalent K(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   3.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.508
_symmetry_Int_Tables_number   1
_cell_volume   107.611
_cell_formula_units_Z   1
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  0.648  0.352  0.500  1.0
  K  K1  1  0.352  0.648  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.000  0.000  0.500  1.0
  F  F5  1  0.841  0.159  0.000  1.0
  F  F6  1  0.159  0.841  0.000  1.0
[/CIF]
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The crystal structure described by K2CuF4 crystallizes in the orthorhombic Cmmm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), and six equivalent F(3) atoms. Cu(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing FK4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to six equivalent K(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   3.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.508
_symmetry_Int_Tables_number   1
_cell_volume   107.611
_cell_formula_units_Z   1
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  0.648  0.352  0.500  1.0
  K  K1  1  0.352  0.648  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.000  0.000  0.500  1.0
  F  F5  1  0.841  0.159  0.000  1.0
  F  F6  1  0.159  0.841  0.000  1.0
[/CIF]
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