The structure described by Cs2MnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(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 in a distorted linear geometry to four equivalent Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded to five equivalent Cs(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing FCs5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Cs2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   148.308
_cell_angle_beta   148.308
_cell_angle_gamma   45.431
_symmetry_Int_Tables_number   1
_cell_volume   137.396
_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
  Cs  Cs0  1  0.351  0.351  0.000  1.0
  Cs  Cs1  1  0.649  0.649  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.143  0.143  0.000  1.0
  F  F4  1  0.857  0.857  0.000  1.0
  F  F5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by Cs2MnF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(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 in a distorted linear geometry to four equivalent Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded to five equivalent Cs(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing FCs5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Cs2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.934
_cell_length_b   7.934
_cell_length_c   7.934
_cell_angle_alpha   148.308
_cell_angle_beta   148.308
_cell_angle_gamma   45.431
_symmetry_Int_Tables_number   1
_cell_volume   137.396
_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
  Cs  Cs0  1  0.351  0.351  0.000  1.0
  Cs  Cs1  1  0.649  0.649  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.143  0.143  0.000  1.0
  F  F4  1  0.857  0.857  0.000  1.0
  F  F5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.000  0.500  0.500  1.0
[/CIF]
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