The structure described by KMnF3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mbm space group. K(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Mn site, Mn(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to four equivalent K(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   5.908
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.194
_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
  F  F0  1  1.000  0.238  0.262  1.0
  F  F1  1  0.000  0.262  0.762  1.0
  F  F2  1  0.500  0.000  0.000  1.0
  F  F3  1  0.000  0.738  0.238  1.0
  F  F4  1  0.000  0.762  0.738  1.0
  F  F5  1  0.500  0.500  0.500  1.0
  K  K6  1  0.500  1.000  0.500  1.0
  K  K7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  1.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by KMnF3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal P4/mbm space group. K(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Mn site, Mn(2) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to four equivalent K(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted linear geometry to four equivalent K(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.188
_cell_length_b   5.908
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.194
_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
  F  F0  1  1.000  0.238  0.262  1.0
  F  F1  1  0.000  0.262  0.762  1.0
  F  F2  1  0.500  0.000  0.000  1.0
  F  F3  1  0.000  0.738  0.238  1.0
  F  F4  1  0.000  0.762  0.738  1.0
  F  F5  1  0.500  0.500  0.500  1.0
  K  K6  1  0.500  1.000  0.500  1.0
  K  K7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  1.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
[/CIF]
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