The crystal structure described by K2UF6 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. U(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent K(1) and one U(1) atom to form FK3U tetrahedra that share corners with six equivalent F(2)K2U2 tetrahedra, corners with ten equivalent F(1)K3U tetrahedra, edges with two equivalent F(2)K2U2 tetrahedra, and edges with four equivalent F(1)K3U tetrahedra. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent U(1) atoms to form FK2U2 tetrahedra that share corners with four equivalent F(2)K2U2 tetrahedra, corners with twelve equivalent F(1)K3U tetrahedra, edges with two equivalent F(2)K2U2 tetrahedra, and edges with four equivalent F(1)K3U tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.129
_cell_length_b   7.129
_cell_length_c   7.129
_cell_angle_alpha   146.400
_cell_angle_beta   129.514
_cell_angle_gamma   62.018
_symmetry_Int_Tables_number   1
_cell_volume   153.101
_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  0.667  0.667  0.000  1.0
  K  K1  1  0.333  0.333  0.000  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.632  0.859  0.773  1.0
  F  F4  1  0.203  0.500  0.703  1.0
  F  F5  1  0.914  0.141  0.773  1.0
  F  F6  1  0.086  0.859  0.227  1.0
  F  F7  1  0.797  0.500  0.297  1.0
  F  F8  1  0.368  0.141  0.227  1.0
[/CIF]
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The crystal structure described by K2UF6 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. U(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent K(1) and one U(1) atom to form FK3U tetrahedra that share corners with six equivalent F(2)K2U2 tetrahedra, corners with ten equivalent F(1)K3U tetrahedra, edges with two equivalent F(2)K2U2 tetrahedra, and edges with four equivalent F(1)K3U tetrahedra. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent U(1) atoms to form FK2U2 tetrahedra that share corners with four equivalent F(2)K2U2 tetrahedra, corners with twelve equivalent F(1)K3U tetrahedra, edges with two equivalent F(2)K2U2 tetrahedra, and edges with four equivalent F(1)K3U tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.129
_cell_length_b   7.129
_cell_length_c   7.129
_cell_angle_alpha   146.400
_cell_angle_beta   129.514
_cell_angle_gamma   62.018
_symmetry_Int_Tables_number   1
_cell_volume   153.101
_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  0.667  0.667  0.000  1.0
  K  K1  1  0.333  0.333  0.000  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.632  0.859  0.773  1.0
  F  F4  1  0.203  0.500  0.703  1.0
  F  F5  1  0.914  0.141  0.773  1.0
  F  F6  1  0.086  0.859  0.227  1.0
  F  F7  1  0.797  0.500  0.297  1.0
  F  F8  1  0.368  0.141  0.227  1.0
[/CIF]
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