The compound described by K2MnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent F(2) and five equivalent F(1) 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 octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent K(1) and two equivalent Mn(1) atoms to form distorted FK4Mn2 octahedra that share corners with two equivalent F(2)K4Mn2 octahedra, corners with twelve equivalent F(1)K5Mn octahedra, edges with two equivalent F(2)K4Mn2 octahedra, faces with four equivalent F(2)K4Mn2 octahedra, and faces with four equivalent F(1)K5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second F site, F(1) is bonded to five equivalent K(1) and one Mn(1) atom to form distorted FK5Mn octahedra that share corners with five equivalent F(1)K5Mn octahedra, corners with twelve equivalent F(2)K4Mn2 octahedra, edges with eight equivalent F(1)K5Mn octahedra, and faces with four equivalent F(2)K4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.155
_cell_length_b   4.155
_cell_length_c   7.227
_cell_angle_alpha   106.705
_cell_angle_beta   106.705
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.962
_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  0.355  0.355  0.709  1.0
  K  K1  1  0.645  0.645  0.291  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.160  0.160  0.320  1.0
  F  F4  1  0.840  0.840  0.680  1.0
  F  F5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by K2MnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent F(2) and five equivalent F(1) 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 octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent K(1) and two equivalent Mn(1) atoms to form distorted FK4Mn2 octahedra that share corners with two equivalent F(2)K4Mn2 octahedra, corners with twelve equivalent F(1)K5Mn octahedra, edges with two equivalent F(2)K4Mn2 octahedra, faces with four equivalent F(2)K4Mn2 octahedra, and faces with four equivalent F(1)K5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second F site, F(1) is bonded to five equivalent K(1) and one Mn(1) atom to form distorted FK5Mn octahedra that share corners with five equivalent F(1)K5Mn octahedra, corners with twelve equivalent F(2)K4Mn2 octahedra, edges with eight equivalent F(1)K5Mn octahedra, and faces with four equivalent F(2)K4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.155
_cell_length_b   4.155
_cell_length_c   7.227
_cell_angle_alpha   106.705
_cell_angle_beta   106.705
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.962
_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  0.355  0.355  0.709  1.0
  K  K1  1  0.645  0.645  0.291  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.160  0.160  0.320  1.0
  F  F4  1  0.840  0.840  0.680  1.0
  F  F5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.500  0.000  0.000  1.0
[/CIF]
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