The material structure described by K2MnSO4F3 crystallizes in the orthorhombic Pbcn space group. K(1) is bonded in a 8-coordinate geometry to one O(2), three equivalent O(1), one F(2), and three equivalent F(1) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one S(1) atom. There are two 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(1) atom. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Mn(1) atoms to form distorted corner-sharing FK2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.460
_cell_length_b   8.531
_cell_length_c   10.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.211
_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  0.812  0.670  0.191  1.0
  K  K1  1  0.812  0.170  0.309  1.0
  K  K2  1  0.312  0.830  0.309  1.0
  K  K3  1  0.688  0.670  0.809  1.0
  K  K4  1  0.688  0.170  0.691  1.0
  K  K5  1  0.312  0.330  0.191  1.0
  K  K6  1  0.188  0.330  0.809  1.0
  K  K7  1  0.188  0.830  0.691  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.000  1.0
  S  S12  1  0.250  0.192  0.500  1.0
  S  S13  1  0.750  0.308  0.000  1.0
  S  S14  1  0.750  0.808  0.500  1.0
  S  S15  1  0.250  0.692  0.000  1.0
  O  O16  1  0.334  0.099  0.596  1.0
  O  O17  1  0.834  0.401  0.904  1.0
  O  O18  1  0.166  0.099  0.404  1.0
  O  O19  1  0.666  0.401  0.096  1.0
  O  O20  1  0.666  0.901  0.404  1.0
  O  O21  1  0.166  0.599  0.096  1.0
  O  O22  1  0.834  0.901  0.596  1.0
  O  O23  1  0.334  0.599  0.904  1.0
  O  O24  1  0.389  0.297  0.439  1.0
  O  O25  1  0.889  0.203  0.061  1.0
  O  O26  1  0.111  0.297  0.561  1.0
  O  O27  1  0.611  0.203  0.939  1.0
  O  O28  1  0.111  0.797  0.939  1.0
  O  O29  1  0.889  0.703  0.439  1.0
  O  O30  1  0.611  0.703  0.561  1.0
  O  O31  1  0.389  0.797  0.061  1.0
  F  F32  1  0.475  0.942  0.837  1.0
  F  F33  1  0.975  0.558  0.663  1.0
  F  F34  1  0.025  0.942  0.163  1.0
  F  F35  1  0.525  0.558  0.337  1.0
  F  F36  1  0.750  0.882  0.000  1.0
  F  F37  1  0.250  0.618  0.500  1.0
  F  F38  1  0.250  0.118  0.000  1.0
  F  F39  1  0.750  0.382  0.500  1.0
  F  F40  1  0.975  0.058  0.837  1.0
  F  F41  1  0.525  0.058  0.163  1.0
  F  F42  1  0.025  0.442  0.337  1.0
  F  F43  1  0.475  0.442  0.663  1.0
[/CIF]
.
The material structure described by K2MnSO4F3 crystallizes in the orthorhombic Pbcn space group. K(1) is bonded in a 8-coordinate geometry to one O(2), three equivalent O(1), one F(2), and three equivalent F(1) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one S(1) atom. There are two 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(1) atom. In the second F site, F(2) is bonded to two equivalent K(1) and two equivalent Mn(1) atoms to form distorted corner-sharing FK2Mn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.460
_cell_length_b   8.531
_cell_length_c   10.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   699.211
_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  0.812  0.670  0.191  1.0
  K  K1  1  0.812  0.170  0.309  1.0
  K  K2  1  0.312  0.830  0.309  1.0
  K  K3  1  0.688  0.670  0.809  1.0
  K  K4  1  0.688  0.170  0.691  1.0
  K  K5  1  0.312  0.330  0.191  1.0
  K  K6  1  0.188  0.330  0.809  1.0
  K  K7  1  0.188  0.830  0.691  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.500  0.000  0.000  1.0
  Mn  Mn10  1  0.000  0.500  0.500  1.0
  Mn  Mn11  1  0.000  0.000  0.000  1.0
  S  S12  1  0.250  0.192  0.500  1.0
  S  S13  1  0.750  0.308  0.000  1.0
  S  S14  1  0.750  0.808  0.500  1.0
  S  S15  1  0.250  0.692  0.000  1.0
  O  O16  1  0.334  0.099  0.596  1.0
  O  O17  1  0.834  0.401  0.904  1.0
  O  O18  1  0.166  0.099  0.404  1.0
  O  O19  1  0.666  0.401  0.096  1.0
  O  O20  1  0.666  0.901  0.404  1.0
  O  O21  1  0.166  0.599  0.096  1.0
  O  O22  1  0.834  0.901  0.596  1.0
  O  O23  1  0.334  0.599  0.904  1.0
  O  O24  1  0.389  0.297  0.439  1.0
  O  O25  1  0.889  0.203  0.061  1.0
  O  O26  1  0.111  0.297  0.561  1.0
  O  O27  1  0.611  0.203  0.939  1.0
  O  O28  1  0.111  0.797  0.939  1.0
  O  O29  1  0.889  0.703  0.439  1.0
  O  O30  1  0.611  0.703  0.561  1.0
  O  O31  1  0.389  0.797  0.061  1.0
  F  F32  1  0.475  0.942  0.837  1.0
  F  F33  1  0.975  0.558  0.663  1.0
  F  F34  1  0.025  0.942  0.163  1.0
  F  F35  1  0.525  0.558  0.337  1.0
  F  F36  1  0.750  0.882  0.000  1.0
  F  F37  1  0.250  0.618  0.500  1.0
  F  F38  1  0.250  0.118  0.000  1.0
  F  F39  1  0.750  0.382  0.500  1.0
  F  F40  1  0.975  0.058  0.837  1.0
  F  F41  1  0.525  0.058  0.163  1.0
  F  F42  1  0.025  0.442  0.337  1.0
  F  F43  1  0.475  0.442  0.663  1.0
[/CIF]
.