The material structure described by RbK2Mn2F7 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(3) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with four equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, and faces with eight equivalent Mn(1)F6 octahedra. K(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Mn(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form MnF6 octahedra that share corners with five equivalent Mn(1)F6 octahedra and faces with four equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), two equivalent K(1), and two equivalent Mn(1) atoms to form distorted FK2Rb2Mn2 octahedra that share corners with four equivalent F(3)Rb4Mn2 octahedra, corners with six equivalent F(2)K5Mn octahedra, corners with eight equivalent F(1)K2Rb2Mn2 octahedra, edges with three equivalent F(1)K2Rb2Mn2 octahedra, faces with two equivalent F(2)K5Mn octahedra, faces with two equivalent F(3)Rb4Mn2 octahedra, and faces with four equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second F site, F(2) is bonded to five equivalent K(1) and one Mn(1) atom to form distorted FK5Mn octahedra that share  a cornercorner with one F(3)Rb4Mn2 octahedra, corners with four equivalent F(2)K5Mn octahedra, corners with twelve equivalent F(1)K2Rb2Mn2 octahedra, edges with eight equivalent F(2)K5Mn octahedra, and faces with four equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third F site, F(3) is bonded to four equivalent Rb(1) and two equivalent Mn(1) atoms to form distorted FRb4Mn2 octahedra that share corners with two equivalent F(2)K5Mn octahedra, corners with four equivalent F(3)Rb4Mn2 octahedra, corners with sixteen equivalent F(1)K2Rb2Mn2 octahedra, edges with four equivalent F(3)Rb4Mn2 octahedra, and faces with eight equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2RbMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.407
_cell_length_b   11.407
_cell_length_c   11.407
_cell_angle_alpha   158.356
_cell_angle_beta   158.356
_cell_angle_gamma   30.797
_symmetry_Int_Tables_number   1
_cell_volume   201.793
_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  0.314  0.314  0.000  1.0
  K  K1  1  0.686  0.686  0.000  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.901  0.901  0.000  1.0
  Mn  Mn4  1  0.099  0.099  0.000  1.0
  F  F5  1  0.401  0.901  0.500  1.0
  F  F6  1  0.901  0.401  0.500  1.0
  F  F7  1  0.195  0.195  0.000  1.0
  F  F8  1  0.805  0.805  0.000  1.0
  F  F9  1  0.000  0.000  0.000  1.0
  F  F10  1  0.099  0.599  0.500  1.0
  F  F11  1  0.599  0.099  0.500  1.0
[/CIF]
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The material structure described by RbK2Mn2F7 crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(3) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with four equivalent Rb(1)F12 cuboctahedra, faces with four equivalent Rb(1)F12 cuboctahedra, and faces with eight equivalent Mn(1)F6 octahedra. K(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Mn(1) is bonded to one F(2), one F(3), and four equivalent F(1) atoms to form MnF6 octahedra that share corners with five equivalent Mn(1)F6 octahedra and faces with four equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Rb(1), two equivalent K(1), and two equivalent Mn(1) atoms to form distorted FK2Rb2Mn2 octahedra that share corners with four equivalent F(3)Rb4Mn2 octahedra, corners with six equivalent F(2)K5Mn octahedra, corners with eight equivalent F(1)K2Rb2Mn2 octahedra, edges with three equivalent F(1)K2Rb2Mn2 octahedra, faces with two equivalent F(2)K5Mn octahedra, faces with two equivalent F(3)Rb4Mn2 octahedra, and faces with four equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second F site, F(2) is bonded to five equivalent K(1) and one Mn(1) atom to form distorted FK5Mn octahedra that share  a cornercorner with one F(3)Rb4Mn2 octahedra, corners with four equivalent F(2)K5Mn octahedra, corners with twelve equivalent F(1)K2Rb2Mn2 octahedra, edges with eight equivalent F(2)K5Mn octahedra, and faces with four equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third F site, F(3) is bonded to four equivalent Rb(1) and two equivalent Mn(1) atoms to form distorted FRb4Mn2 octahedra that share corners with two equivalent F(2)K5Mn octahedra, corners with four equivalent F(3)Rb4Mn2 octahedra, corners with sixteen equivalent F(1)K2Rb2Mn2 octahedra, edges with four equivalent F(3)Rb4Mn2 octahedra, and faces with eight equivalent F(1)K2Rb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2RbMn2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.407
_cell_length_b   11.407
_cell_length_c   11.407
_cell_angle_alpha   158.356
_cell_angle_beta   158.356
_cell_angle_gamma   30.797
_symmetry_Int_Tables_number   1
_cell_volume   201.793
_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  0.314  0.314  0.000  1.0
  K  K1  1  0.686  0.686  0.000  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.901  0.901  0.000  1.0
  Mn  Mn4  1  0.099  0.099  0.000  1.0
  F  F5  1  0.401  0.901  0.500  1.0
  F  F6  1  0.901  0.401  0.500  1.0
  F  F7  1  0.195  0.195  0.000  1.0
  F  F8  1  0.805  0.805  0.000  1.0
  F  F9  1  0.000  0.000  0.000  1.0
  F  F10  1  0.099  0.599  0.500  1.0
  F  F11  1  0.599  0.099  0.500  1.0
[/CIF]
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