The structure described by Rb2KMnF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent K(1)F6 octahedra, and faces with four equivalent Mn(1)F6 octahedra. 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 Mn(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent K(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Mn(1) atom. In the second F site, F(2) is bonded to four equivalent Rb(1), one K(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing FKRb4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_KRb2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   6.453
_cell_angle_alpha   119.205
_cell_angle_beta   119.205
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.203
_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
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.215  0.215  0.000  1.0
  F  F5  1  0.785  0.785  0.000  1.0
  F  F6  1  0.785  0.215  0.000  1.0
  F  F7  1  0.215  0.785  0.000  1.0
  F  F8  1  0.226  0.226  0.453  1.0
  F  F9  1  0.774  0.774  0.547  1.0
[/CIF]
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The structure described by Rb2KMnF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent K(1)F6 octahedra, and faces with four equivalent Mn(1)F6 octahedra. 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 Mn(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent K(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Rb(1), one K(1), and one Mn(1) atom. In the second F site, F(2) is bonded to four equivalent Rb(1), one K(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing FKRb4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_KRb2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   6.297
_cell_length_c   6.453
_cell_angle_alpha   119.205
_cell_angle_beta   119.205
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.203
_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
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.215  0.215  0.000  1.0
  F  F5  1  0.785  0.785  0.000  1.0
  F  F6  1  0.785  0.215  0.000  1.0
  F  F7  1  0.215  0.785  0.000  1.0
  F  F8  1  0.226  0.226  0.453  1.0
  F  F9  1  0.774  0.774  0.547  1.0
[/CIF]
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