The compound described by KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Mn(1)F6 octahedra. 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 Mn(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are two 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 2-coordinate geometry to four equivalent K(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.894
_cell_length_b   5.920
_cell_length_c   8.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.878
_cell_formula_units_Z   4
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  0.990  0.002  0.750  1.0
  K  K1  1  0.490  0.498  0.750  1.0
  K  K2  1  0.510  0.502  0.250  1.0
  K  K3  1  0.010  0.998  0.250  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.735  0.265  0.523  1.0
  F  F9  1  0.235  0.235  0.977  1.0
  F  F10  1  0.765  0.765  0.477  1.0
  F  F11  1  0.265  0.735  0.023  1.0
  F  F12  1  0.265  0.735  0.477  1.0
  F  F13  1  0.765  0.765  0.023  1.0
  F  F14  1  0.235  0.235  0.523  1.0
  F  F15  1  0.735  0.265  0.977  1.0
  F  F16  1  0.504  0.956  0.750  1.0
  F  F17  1  0.004  0.544  0.750  1.0
  F  F18  1  0.996  0.456  0.250  1.0
  F  F19  1  0.496  0.044  0.250  1.0
[/CIF]
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The compound described by KMnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Mn(1)F6 octahedra. 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 Mn(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are two 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 2-coordinate geometry to four equivalent K(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.894
_cell_length_b   5.920
_cell_length_c   8.337
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.878
_cell_formula_units_Z   4
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  0.990  0.002  0.750  1.0
  K  K1  1  0.490  0.498  0.750  1.0
  K  K2  1  0.510  0.502  0.250  1.0
  K  K3  1  0.010  0.998  0.250  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.735  0.265  0.523  1.0
  F  F9  1  0.235  0.235  0.977  1.0
  F  F10  1  0.765  0.765  0.477  1.0
  F  F11  1  0.265  0.735  0.023  1.0
  F  F12  1  0.265  0.735  0.477  1.0
  F  F13  1  0.765  0.765  0.023  1.0
  F  F14  1  0.235  0.235  0.523  1.0
  F  F15  1  0.735  0.265  0.977  1.0
  F  F16  1  0.504  0.956  0.750  1.0
  F  F17  1  0.004  0.544  0.750  1.0
  F  F18  1  0.996  0.456  0.250  1.0
  F  F19  1  0.496  0.044  0.250  1.0
[/CIF]
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