The material described by Rb2MnF6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(2)F12 cuboctahedra, and faces with four equivalent Mn(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Mn(1)F6 octahedra, faces with two equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, and faces with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. Mn(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, faces with three equivalent Rb(2)F12 cuboctahedra, and faces with four equivalent Rb(1)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Rb2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.886
_cell_length_c   9.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   287.031
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.667  0.333  0.374  1.0
  Rb  Rb1  1  0.333  0.667  0.874  1.0
  Rb  Rb2  1  0.000  1.000  0.600  1.0
  Rb  Rb3  1  0.000  0.000  0.100  1.0
  Mn  Mn4  1  0.333  0.667  0.256  1.0
  Mn  Mn5  1  0.667  0.333  0.756  1.0
  F  F6  1  0.522  0.478  0.645  1.0
  F  F7  1  0.044  0.522  0.145  1.0
  F  F8  1  0.478  0.956  0.145  1.0
  F  F9  1  0.522  0.044  0.645  1.0
  F  F10  1  0.956  0.478  0.645  1.0
  F  F11  1  0.478  0.522  0.145  1.0
  F  F12  1  0.185  0.815  0.361  1.0
  F  F13  1  0.370  0.185  0.862  1.0
  F  F14  1  0.815  0.630  0.862  1.0
  F  F15  1  0.185  0.370  0.361  1.0
  F  F16  1  0.630  0.815  0.361  1.0
  F  F17  1  0.815  0.185  0.862  1.0
[/CIF]
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The material described by Rb2MnF6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(2)F12 cuboctahedra, and faces with four equivalent Mn(1)F6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form RbF12 cuboctahedra that share corners with six equivalent Rb(2)F12 cuboctahedra, corners with three equivalent Mn(1)F6 octahedra, faces with two equivalent Rb(2)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, and faces with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 17°. Mn(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form MnF6 octahedra that share corners with three equivalent Rb(2)F12 cuboctahedra, faces with three equivalent Rb(2)F12 cuboctahedra, and faces with four equivalent Rb(1)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Rb2MnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.886
_cell_length_c   9.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   287.031
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.667  0.333  0.374  1.0
  Rb  Rb1  1  0.333  0.667  0.874  1.0
  Rb  Rb2  1  0.000  1.000  0.600  1.0
  Rb  Rb3  1  0.000  0.000  0.100  1.0
  Mn  Mn4  1  0.333  0.667  0.256  1.0
  Mn  Mn5  1  0.667  0.333  0.756  1.0
  F  F6  1  0.522  0.478  0.645  1.0
  F  F7  1  0.044  0.522  0.145  1.0
  F  F8  1  0.478  0.956  0.145  1.0
  F  F9  1  0.522  0.044  0.645  1.0
  F  F10  1  0.956  0.478  0.645  1.0
  F  F11  1  0.478  0.522  0.145  1.0
  F  F12  1  0.185  0.815  0.361  1.0
  F  F13  1  0.370  0.185  0.862  1.0
  F  F14  1  0.815  0.630  0.862  1.0
  F  F15  1  0.185  0.370  0.361  1.0
  F  F16  1  0.630  0.815  0.361  1.0
  F  F17  1  0.815  0.185  0.862  1.0
[/CIF]
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