The material described by MnAs2S2(OF3)4 crystallizes in the orthorhombic Fdd2 space group. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. As(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AsF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. S(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one As(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one As(1) atom. is represented by the CIF file [CIF]
data_MnAs2S2(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.995
_cell_length_b   10.304
_cell_length_c   9.093
_cell_angle_alpha   76.115
_cell_angle_beta   56.499
_cell_angle_gamma   47.385
_symmetry_Int_Tables_number   1
_cell_volume   673.098
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.711  0.789  0.789  1.0
  Mn  Mn1  1  0.461  0.539  0.539  1.0
  As  As2  1  0.663  0.449  0.022  1.0
  As  As3  1  0.866  0.022  0.449  1.0
  As  As4  1  0.228  0.384  0.587  1.0
  As  As5  1  0.801  0.587  0.384  1.0
  S  S6  1  0.747  0.944  0.054  1.0
  S  S7  1  0.255  0.054  0.944  1.0
  S  S8  1  0.196  0.995  0.503  1.0
  S  S9  1  0.306  0.503  0.995  1.0
  O  O10  1  0.673  0.915  0.993  1.0
  O  O11  1  0.419  0.993  0.915  1.0
  O  O12  1  0.257  0.831  0.577  1.0
  O  O13  1  0.335  0.577  0.831  1.0
  O  O14  1  0.935  0.853  0.933  1.0
  O  O15  1  0.279  0.933  0.853  1.0
  O  O16  1  0.317  0.971  0.315  1.0
  O  O17  1  0.397  0.315  0.971  1.0
  F  F18  1  0.712  0.596  0.953  1.0
  F  F19  1  0.738  0.953  0.596  1.0
  F  F20  1  0.297  0.512  0.538  1.0
  F  F21  1  0.654  0.538  0.512  1.0
  F  F22  1  0.579  0.522  0.252  1.0
  F  F23  1  0.647  0.252  0.522  1.0
  F  F24  1  0.998  0.603  0.671  1.0
  F  F25  1  0.728  0.671  0.603  1.0
  F  F26  1  0.744  0.387  0.800  1.0
  F  F27  1  0.069  0.800  0.387  1.0
  F  F28  1  0.450  0.181  0.506  1.0
  F  F29  1  0.863  0.506  0.181  1.0
  F  F30  1  0.877  0.274  0.987  1.0
  F  F31  1  0.862  0.987  0.274  1.0
  F  F32  1  0.263  0.388  0.373  1.0
  F  F33  1  0.976  0.373  0.388  1.0
  F  F34  1  0.445  0.638  0.068  1.0
  F  F35  1  0.849  0.068  0.638  1.0
  F  F36  1  0.182  0.401  0.805  1.0
  F  F37  1  0.612  0.805  0.401  1.0
  F  F38  1  0.606  0.317  0.101  1.0
  F  F39  1  0.976  0.101  0.317  1.0
  F  F40  1  0.149  0.274  0.644  1.0
  F  F41  1  0.933  0.644  0.274  1.0
[/CIF]
.
The material described by MnAs2S2(OF3)4 crystallizes in the orthorhombic Fdd2 space group. Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. As(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AsF6 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. S(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one As(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one As(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one As(1) atom. is represented by the CIF file [CIF]
data_MnAs2S2(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.995
_cell_length_b   10.304
_cell_length_c   9.093
_cell_angle_alpha   76.115
_cell_angle_beta   56.499
_cell_angle_gamma   47.385
_symmetry_Int_Tables_number   1
_cell_volume   673.098
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.711  0.789  0.789  1.0
  Mn  Mn1  1  0.461  0.539  0.539  1.0
  As  As2  1  0.663  0.449  0.022  1.0
  As  As3  1  0.866  0.022  0.449  1.0
  As  As4  1  0.228  0.384  0.587  1.0
  As  As5  1  0.801  0.587  0.384  1.0
  S  S6  1  0.747  0.944  0.054  1.0
  S  S7  1  0.255  0.054  0.944  1.0
  S  S8  1  0.196  0.995  0.503  1.0
  S  S9  1  0.306  0.503  0.995  1.0
  O  O10  1  0.673  0.915  0.993  1.0
  O  O11  1  0.419  0.993  0.915  1.0
  O  O12  1  0.257  0.831  0.577  1.0
  O  O13  1  0.335  0.577  0.831  1.0
  O  O14  1  0.935  0.853  0.933  1.0
  O  O15  1  0.279  0.933  0.853  1.0
  O  O16  1  0.317  0.971  0.315  1.0
  O  O17  1  0.397  0.315  0.971  1.0
  F  F18  1  0.712  0.596  0.953  1.0
  F  F19  1  0.738  0.953  0.596  1.0
  F  F20  1  0.297  0.512  0.538  1.0
  F  F21  1  0.654  0.538  0.512  1.0
  F  F22  1  0.579  0.522  0.252  1.0
  F  F23  1  0.647  0.252  0.522  1.0
  F  F24  1  0.998  0.603  0.671  1.0
  F  F25  1  0.728  0.671  0.603  1.0
  F  F26  1  0.744  0.387  0.800  1.0
  F  F27  1  0.069  0.800  0.387  1.0
  F  F28  1  0.450  0.181  0.506  1.0
  F  F29  1  0.863  0.506  0.181  1.0
  F  F30  1  0.877  0.274  0.987  1.0
  F  F31  1  0.862  0.987  0.274  1.0
  F  F32  1  0.263  0.388  0.373  1.0
  F  F33  1  0.976  0.373  0.388  1.0
  F  F34  1  0.445  0.638  0.068  1.0
  F  F35  1  0.849  0.068  0.638  1.0
  F  F36  1  0.182  0.401  0.805  1.0
  F  F37  1  0.612  0.805  0.401  1.0
  F  F38  1  0.606  0.317  0.101  1.0
  F  F39  1  0.976  0.101  0.317  1.0
  F  F40  1  0.149  0.274  0.644  1.0
  F  F41  1  0.933  0.644  0.274  1.0
[/CIF]
.