The structure described by Rb2KScF6 crystallizes in the tetragonal I4/m space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. K(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Sc(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ScF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one K(1), and one Sc(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Sc(1) atom. is represented by the CIF file [CIF]
data_KRb2ScF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.356
_cell_angle_alpha   119.564
_cell_angle_beta   119.564
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.140
_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  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.750  0.250  0.500  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.838  0.722  0.000  1.0
  F  F5  1  0.278  0.838  0.000  1.0
  F  F6  1  0.722  0.162  0.000  1.0
  F  F7  1  0.162  0.278  0.000  1.0
  F  F8  1  0.222  0.222  0.445  1.0
  F  F9  1  0.778  0.778  0.555  1.0
[/CIF]
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The structure described by Rb2KScF6 crystallizes in the tetragonal I4/m space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. K(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Sc(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. Sc(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ScF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one K(1), and one Sc(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Sc(1) atom. is represented by the CIF file [CIF]
data_KRb2ScF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   6.356
_cell_angle_alpha   119.564
_cell_angle_beta   119.564
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.140
_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  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.750  0.250  0.500  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.838  0.722  0.000  1.0
  F  F5  1  0.278  0.838  0.000  1.0
  F  F6  1  0.722  0.162  0.000  1.0
  F  F7  1  0.162  0.278  0.000  1.0
  F  F8  1  0.222  0.222  0.445  1.0
  F  F9  1  0.778  0.778  0.555  1.0
[/CIF]
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