The material described by CsNS2(O2F)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(3), two equivalent O(1), two equivalent O(4), one F(1), and one F(2) atom. N(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one F(1) atom to form corner-sharing SNO2F tetrahedra. In the second S site, S(2) is bonded to one N(1), one O(3), one O(4), and one F(2) atom to form corner-sharing SNO2F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsS2N(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.116
_cell_length_c   12.399
_cell_angle_alpha   59.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.103
_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  0.244  0.767  0.088  1.0
  Cs  Cs1  1  0.744  0.233  0.412  1.0
  Cs  Cs2  1  0.756  0.233  0.912  1.0
  Cs  Cs3  1  0.256  0.767  0.588  1.0
  S  S4  1  0.188  0.357  0.462  1.0
  S  S5  1  0.688  0.643  0.038  1.0
  S  S6  1  0.812  0.643  0.538  1.0
  S  S7  1  0.312  0.357  0.962  1.0
  S  S8  1  0.398  0.209  0.656  1.0
  S  S9  1  0.898  0.791  0.844  1.0
  S  S10  1  0.602  0.791  0.344  1.0
  S  S11  1  0.102  0.209  0.156  1.0
  N  N12  1  0.292  0.381  0.558  1.0
  N  N13  1  0.792  0.619  0.942  1.0
  N  N14  1  0.708  0.619  0.442  1.0
  N  N15  1  0.208  0.381  0.058  1.0
  O  O16  1  0.102  0.180  0.514  1.0
  O  O17  1  0.602  0.820  0.986  1.0
  O  O18  1  0.898  0.820  0.486  1.0
  O  O19  1  0.398  0.180  0.014  1.0
  O  O20  1  0.111  0.535  0.381  1.0
  O  O21  1  0.611  0.465  0.119  1.0
  O  O22  1  0.889  0.465  0.619  1.0
  O  O23  1  0.389  0.535  0.881  1.0
  O  O24  1  0.493  0.281  0.718  1.0
  O  O25  1  0.993  0.719  0.782  1.0
  O  O26  1  0.507  0.719  0.282  1.0
  O  O27  1  0.007  0.281  0.218  1.0
  O  O28  1  0.463  0.090  0.613  1.0
  O  O29  1  0.963  0.910  0.887  1.0
  O  O30  1  0.537  0.910  0.387  1.0
  O  O31  1  0.037  0.090  0.113  1.0
  F  F32  1  0.312  0.339  0.369  1.0
  F  F33  1  0.812  0.661  0.131  1.0
  F  F34  1  0.688  0.661  0.631  1.0
  F  F35  1  0.188  0.339  0.869  1.0
  F  F36  1  0.276  0.068  0.764  1.0
  F  F37  1  0.776  0.932  0.736  1.0
  F  F38  1  0.724  0.932  0.236  1.0
  F  F39  1  0.224  0.068  0.264  1.0
[/CIF]
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The material described by CsNS2(O2F)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(3), two equivalent O(1), two equivalent O(4), one F(1), and one F(2) atom. N(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one S(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one F(1) atom to form corner-sharing SNO2F tetrahedra. In the second S site, S(2) is bonded to one N(1), one O(3), one O(4), and one F(2) atom to form corner-sharing SNO2F tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsS2N(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.699
_cell_length_b   8.116
_cell_length_c   12.399
_cell_angle_alpha   59.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.103
_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  0.244  0.767  0.088  1.0
  Cs  Cs1  1  0.744  0.233  0.412  1.0
  Cs  Cs2  1  0.756  0.233  0.912  1.0
  Cs  Cs3  1  0.256  0.767  0.588  1.0
  S  S4  1  0.188  0.357  0.462  1.0
  S  S5  1  0.688  0.643  0.038  1.0
  S  S6  1  0.812  0.643  0.538  1.0
  S  S7  1  0.312  0.357  0.962  1.0
  S  S8  1  0.398  0.209  0.656  1.0
  S  S9  1  0.898  0.791  0.844  1.0
  S  S10  1  0.602  0.791  0.344  1.0
  S  S11  1  0.102  0.209  0.156  1.0
  N  N12  1  0.292  0.381  0.558  1.0
  N  N13  1  0.792  0.619  0.942  1.0
  N  N14  1  0.708  0.619  0.442  1.0
  N  N15  1  0.208  0.381  0.058  1.0
  O  O16  1  0.102  0.180  0.514  1.0
  O  O17  1  0.602  0.820  0.986  1.0
  O  O18  1  0.898  0.820  0.486  1.0
  O  O19  1  0.398  0.180  0.014  1.0
  O  O20  1  0.111  0.535  0.381  1.0
  O  O21  1  0.611  0.465  0.119  1.0
  O  O22  1  0.889  0.465  0.619  1.0
  O  O23  1  0.389  0.535  0.881  1.0
  O  O24  1  0.493  0.281  0.718  1.0
  O  O25  1  0.993  0.719  0.782  1.0
  O  O26  1  0.507  0.719  0.282  1.0
  O  O27  1  0.007  0.281  0.218  1.0
  O  O28  1  0.463  0.090  0.613  1.0
  O  O29  1  0.963  0.910  0.887  1.0
  O  O30  1  0.537  0.910  0.387  1.0
  O  O31  1  0.037  0.090  0.113  1.0
  F  F32  1  0.312  0.339  0.369  1.0
  F  F33  1  0.812  0.661  0.131  1.0
  F  F34  1  0.688  0.661  0.631  1.0
  F  F35  1  0.188  0.339  0.869  1.0
  F  F36  1  0.276  0.068  0.764  1.0
  F  F37  1  0.776  0.932  0.736  1.0
  F  F38  1  0.724  0.932  0.236  1.0
  F  F39  1  0.224  0.068  0.264  1.0
[/CIF]
.