The structure described by KMnH2OF4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 11-coordinate geometry to two equivalent F(2), three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. 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 are 46°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to three equivalent K(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_KMnH2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.620
_cell_length_c   10.727
_cell_angle_alpha   77.413
_cell_angle_beta   77.413
_cell_angle_gamma   49.374
_symmetry_Int_Tables_number   1
_cell_volume   458.949
_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  0.181  0.661  0.444  1.0
  K  K1  1  0.339  0.819  0.056  1.0
  K  K2  1  0.819  0.339  0.556  1.0
  K  K3  1  0.661  0.181  0.944  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.757  0.243  0.250  1.0
  Mn  Mn7  1  0.243  0.757  0.750  1.0
  H  H8  1  0.267  0.092  0.305  1.0
  H  H9  1  0.908  0.733  0.195  1.0
  H  H10  1  0.733  0.908  0.695  1.0
  H  H11  1  0.092  0.267  0.805  1.0
  H  H12  1  0.401  0.193  0.256  1.0
  H  H13  1  0.807  0.599  0.244  1.0
  H  H14  1  0.599  0.807  0.744  1.0
  H  H15  1  0.193  0.401  0.756  1.0
  O  O16  1  0.413  0.062  0.309  1.0
  O  O17  1  0.938  0.587  0.191  1.0
  O  O18  1  0.587  0.938  0.691  1.0
  O  O19  1  0.062  0.413  0.809  1.0
  F  F20  1  0.645  0.154  0.438  1.0
  F  F21  1  0.846  0.355  0.062  1.0
  F  F22  1  0.355  0.846  0.562  1.0
  F  F23  1  0.154  0.645  0.938  1.0
  F  F24  1  0.784  0.718  0.462  1.0
  F  F25  1  0.282  0.216  0.038  1.0
  F  F26  1  0.216  0.282  0.538  1.0
  F  F27  1  0.718  0.784  0.962  1.0
  F  F28  1  0.902  0.960  0.184  1.0
  F  F29  1  0.040  0.098  0.316  1.0
  F  F30  1  0.098  0.040  0.816  1.0
  F  F31  1  0.960  0.902  0.684  1.0
  F  F32  1  0.471  0.380  0.191  1.0
  F  F33  1  0.620  0.529  0.309  1.0
  F  F34  1  0.529  0.620  0.809  1.0
  F  F35  1  0.380  0.471  0.691  1.0
[/CIF]
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The structure described by KMnH2OF4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 11-coordinate geometry to two equivalent F(2), three equivalent F(1), three equivalent F(3), and three equivalent F(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. 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 are 46°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to one Mn(1), one H(1), and one H(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to three equivalent K(1), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_KMnH2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.620
_cell_length_b   7.620
_cell_length_c   10.727
_cell_angle_alpha   77.413
_cell_angle_beta   77.413
_cell_angle_gamma   49.374
_symmetry_Int_Tables_number   1
_cell_volume   458.949
_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  0.181  0.661  0.444  1.0
  K  K1  1  0.339  0.819  0.056  1.0
  K  K2  1  0.819  0.339  0.556  1.0
  K  K3  1  0.661  0.181  0.944  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.757  0.243  0.250  1.0
  Mn  Mn7  1  0.243  0.757  0.750  1.0
  H  H8  1  0.267  0.092  0.305  1.0
  H  H9  1  0.908  0.733  0.195  1.0
  H  H10  1  0.733  0.908  0.695  1.0
  H  H11  1  0.092  0.267  0.805  1.0
  H  H12  1  0.401  0.193  0.256  1.0
  H  H13  1  0.807  0.599  0.244  1.0
  H  H14  1  0.599  0.807  0.744  1.0
  H  H15  1  0.193  0.401  0.756  1.0
  O  O16  1  0.413  0.062  0.309  1.0
  O  O17  1  0.938  0.587  0.191  1.0
  O  O18  1  0.587  0.938  0.691  1.0
  O  O19  1  0.062  0.413  0.809  1.0
  F  F20  1  0.645  0.154  0.438  1.0
  F  F21  1  0.846  0.355  0.062  1.0
  F  F22  1  0.355  0.846  0.562  1.0
  F  F23  1  0.154  0.645  0.938  1.0
  F  F24  1  0.784  0.718  0.462  1.0
  F  F25  1  0.282  0.216  0.038  1.0
  F  F26  1  0.216  0.282  0.538  1.0
  F  F27  1  0.718  0.784  0.962  1.0
  F  F28  1  0.902  0.960  0.184  1.0
  F  F29  1  0.040  0.098  0.316  1.0
  F  F30  1  0.098  0.040  0.816  1.0
  F  F31  1  0.960  0.902  0.684  1.0
  F  F32  1  0.471  0.380  0.191  1.0
  F  F33  1  0.620  0.529  0.309  1.0
  F  F34  1  0.529  0.620  0.809  1.0
  F  F35  1  0.380  0.471  0.691  1.0
[/CIF]
.