The structure described by Cs2MnSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), one F(1), one F(3), and two equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), one F(2), one F(3), and two equivalent F(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) 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 49°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra and  a cornercorner with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(2), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Cs2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.941
_cell_length_b   7.565
_cell_length_c   9.406
_cell_angle_alpha   87.445
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   848.857
_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
  Cs  Cs0  1  0.188  0.791  0.331  1.0
  Cs  Cs1  1  0.688  0.209  0.169  1.0
  Cs  Cs2  1  0.812  0.209  0.669  1.0
  Cs  Cs3  1  0.312  0.791  0.831  1.0
  Cs  Cs4  1  0.310  0.288  0.175  1.0
  Cs  Cs5  1  0.810  0.712  0.325  1.0
  Cs  Cs6  1  0.690  0.712  0.825  1.0
  Cs  Cs7  1  0.190  0.288  0.675  1.0
  Mn  Mn8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.500  0.500  0.500  1.0
  Mn  Mn10  1  0.000  0.000  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.500  1.0
  S  S12  1  0.998  0.254  0.291  1.0
  S  S13  1  0.498  0.746  0.209  1.0
  S  S14  1  0.002  0.746  0.709  1.0
  S  S15  1  0.502  0.254  0.791  1.0
  O  O16  1  0.453  0.892  0.296  1.0
  O  O17  1  0.953  0.108  0.204  1.0
  O  O18  1  0.547  0.108  0.704  1.0
  O  O19  1  0.047  0.892  0.796  1.0
  O  O20  1  0.047  0.399  0.188  1.0
  O  O21  1  0.547  0.601  0.312  1.0
  O  O22  1  0.953  0.601  0.812  1.0
  O  O23  1  0.453  0.399  0.688  1.0
  O  O24  1  0.906  0.329  0.373  1.0
  O  O25  1  0.406  0.671  0.127  1.0
  O  O26  1  0.094  0.671  0.627  1.0
  O  O27  1  0.594  0.329  0.873  1.0
  O  O28  1  0.093  0.192  0.380  1.0
  O  O29  1  0.593  0.808  0.120  1.0
  O  O30  1  0.907  0.808  0.620  1.0
  O  O31  1  0.407  0.192  0.880  1.0
  F  F32  1  0.347  0.518  0.453  1.0
  F  F33  1  0.847  0.482  0.047  1.0
  F  F34  1  0.653  0.482  0.547  1.0
  F  F35  1  0.153  0.518  0.953  1.0
  F  F36  1  0.153  0.020  0.038  1.0
  F  F37  1  0.653  0.980  0.462  1.0
  F  F38  1  0.847  0.980  0.962  1.0
  F  F39  1  0.347  0.020  0.538  1.0
  F  F40  1  0.002  0.763  0.091  1.0
  F  F41  1  0.502  0.237  0.409  1.0
  F  F42  1  0.998  0.237  0.909  1.0
  F  F43  1  0.498  0.763  0.591  1.0
[/CIF]
.
The structure described by Cs2MnSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), one F(1), one F(3), and two equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), one F(2), one F(3), and two equivalent F(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) 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 49°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Mn(1)O2F4 octahedra and  a cornercorner with one Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(2), and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Cs2MnSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.941
_cell_length_b   7.565
_cell_length_c   9.406
_cell_angle_alpha   87.445
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   848.857
_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
  Cs  Cs0  1  0.188  0.791  0.331  1.0
  Cs  Cs1  1  0.688  0.209  0.169  1.0
  Cs  Cs2  1  0.812  0.209  0.669  1.0
  Cs  Cs3  1  0.312  0.791  0.831  1.0
  Cs  Cs4  1  0.310  0.288  0.175  1.0
  Cs  Cs5  1  0.810  0.712  0.325  1.0
  Cs  Cs6  1  0.690  0.712  0.825  1.0
  Cs  Cs7  1  0.190  0.288  0.675  1.0
  Mn  Mn8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.500  0.500  0.500  1.0
  Mn  Mn10  1  0.000  0.000  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.500  1.0
  S  S12  1  0.998  0.254  0.291  1.0
  S  S13  1  0.498  0.746  0.209  1.0
  S  S14  1  0.002  0.746  0.709  1.0
  S  S15  1  0.502  0.254  0.791  1.0
  O  O16  1  0.453  0.892  0.296  1.0
  O  O17  1  0.953  0.108  0.204  1.0
  O  O18  1  0.547  0.108  0.704  1.0
  O  O19  1  0.047  0.892  0.796  1.0
  O  O20  1  0.047  0.399  0.188  1.0
  O  O21  1  0.547  0.601  0.312  1.0
  O  O22  1  0.953  0.601  0.812  1.0
  O  O23  1  0.453  0.399  0.688  1.0
  O  O24  1  0.906  0.329  0.373  1.0
  O  O25  1  0.406  0.671  0.127  1.0
  O  O26  1  0.094  0.671  0.627  1.0
  O  O27  1  0.594  0.329  0.873  1.0
  O  O28  1  0.093  0.192  0.380  1.0
  O  O29  1  0.593  0.808  0.120  1.0
  O  O30  1  0.907  0.808  0.620  1.0
  O  O31  1  0.407  0.192  0.880  1.0
  F  F32  1  0.347  0.518  0.453  1.0
  F  F33  1  0.847  0.482  0.047  1.0
  F  F34  1  0.653  0.482  0.547  1.0
  F  F35  1  0.153  0.518  0.953  1.0
  F  F36  1  0.153  0.020  0.038  1.0
  F  F37  1  0.653  0.980  0.462  1.0
  F  F38  1  0.847  0.980  0.962  1.0
  F  F39  1  0.347  0.020  0.538  1.0
  F  F40  1  0.002  0.763  0.091  1.0
  F  F41  1  0.502  0.237  0.409  1.0
  F  F42  1  0.998  0.237  0.909  1.0
  F  F43  1  0.498  0.763  0.591  1.0
[/CIF]
.