The compound described by KMnF4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(3), three equivalent F(1), and three equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_KMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   5.733
_cell_length_c   7.702
_cell_angle_alpha   89.374
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.604
_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  0.307  0.486  0.253  1.0
  K  K1  1  0.807  0.514  0.247  1.0
  K  K2  1  0.693  0.514  0.747  1.0
  K  K3  1  0.193  0.486  0.753  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.923  0.291  0.944  1.0
  F  F9  1  0.436  0.707  0.935  1.0
  F  F10  1  0.064  0.707  0.435  1.0
  F  F11  1  0.564  0.293  0.065  1.0
  F  F12  1  0.232  0.119  0.999  1.0
  F  F13  1  0.732  0.881  0.501  1.0
  F  F14  1  0.768  0.881  0.001  1.0
  F  F15  1  0.268  0.119  0.499  1.0
  F  F16  1  0.020  0.905  0.735  1.0
  F  F17  1  0.577  0.291  0.444  1.0
  F  F18  1  0.980  0.095  0.265  1.0
  F  F19  1  0.480  0.905  0.235  1.0
  F  F20  1  0.520  0.095  0.765  1.0
  F  F21  1  0.423  0.709  0.556  1.0
  F  F22  1  0.077  0.709  0.056  1.0
  F  F23  1  0.936  0.293  0.565  1.0
[/CIF]
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The compound described by KMnF4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(3), three equivalent F(1), and three equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_KMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   5.733
_cell_length_c   7.702
_cell_angle_alpha   89.374
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.604
_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  0.307  0.486  0.253  1.0
  K  K1  1  0.807  0.514  0.247  1.0
  K  K2  1  0.693  0.514  0.747  1.0
  K  K3  1  0.193  0.486  0.753  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.000  0.500  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.923  0.291  0.944  1.0
  F  F9  1  0.436  0.707  0.935  1.0
  F  F10  1  0.064  0.707  0.435  1.0
  F  F11  1  0.564  0.293  0.065  1.0
  F  F12  1  0.232  0.119  0.999  1.0
  F  F13  1  0.732  0.881  0.501  1.0
  F  F14  1  0.768  0.881  0.001  1.0
  F  F15  1  0.268  0.119  0.499  1.0
  F  F16  1  0.020  0.905  0.735  1.0
  F  F17  1  0.577  0.291  0.444  1.0
  F  F18  1  0.980  0.095  0.265  1.0
  F  F19  1  0.480  0.905  0.235  1.0
  F  F20  1  0.520  0.095  0.765  1.0
  F  F21  1  0.423  0.709  0.556  1.0
  F  F22  1  0.077  0.709  0.056  1.0
  F  F23  1  0.936  0.293  0.565  1.0
[/CIF]
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