The crystal structure described by KMnF3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 12-coordinate geometry to four equivalent F(1) and eight equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. 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   6.012
_cell_length_b   6.013
_cell_length_c   6.013
_cell_angle_alpha   60.105
_cell_angle_beta   60.006
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   153.817
_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  0.205  0.250  0.250  1.0
  F  F1  1  0.795  0.750  0.750  1.0
  F  F2  1  0.725  0.775  0.275  1.0
  F  F3  1  0.275  0.725  0.225  1.0
  F  F4  1  0.275  0.225  0.725  1.0
  F  F5  1  0.725  0.275  0.775  1.0
  K  K6  1  0.257  0.750  0.750  1.0
  K  K7  1  0.743  0.250  0.250  1.0
  Mn  Mn8  1  1.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  1.000  0.000  1.0
[/CIF]
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The crystal structure described by KMnF3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 12-coordinate geometry to four equivalent F(1) and eight equivalent F(2) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. 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   6.012
_cell_length_b   6.013
_cell_length_c   6.013
_cell_angle_alpha   60.105
_cell_angle_beta   60.006
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   153.817
_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  0.205  0.250  0.250  1.0
  F  F1  1  0.795  0.750  0.750  1.0
  F  F2  1  0.725  0.775  0.275  1.0
  F  F3  1  0.275  0.725  0.225  1.0
  F  F4  1  0.275  0.225  0.725  1.0
  F  F5  1  0.725  0.275  0.775  1.0
  K  K6  1  0.257  0.750  0.750  1.0
  K  K7  1  0.743  0.250  0.250  1.0
  Mn  Mn8  1  1.000  0.500  0.500  1.0
  Mn  Mn9  1  0.500  1.000  0.000  1.0
[/CIF]
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