The material structure described by CAsN2S2OF5 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CAsN2S2OF5 clusters. C(1) is bonded in a distorted bent 120 degrees geometry to one N(2), one S(1), and one O(1) atom. As(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to one C(1) and one N(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one N(2) atom. O(1) is bonded in a bent 120 degrees geometry to one C(1) and one As(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AsCS2N2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.813
_cell_length_b   8.232
_cell_length_c   9.988
_cell_angle_alpha   61.467
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.129
_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
  As  As0  1  0.124  0.323  0.883  1.0
  As  As1  1  0.376  0.323  0.383  1.0
  As  As2  1  0.624  0.677  0.617  1.0
  As  As3  1  0.876  0.677  0.117  1.0
  C  C4  1  0.675  0.995  0.325  1.0
  C  C5  1  0.325  0.005  0.675  1.0
  C  C6  1  0.175  0.005  0.175  1.0
  C  C7  1  0.825  0.995  0.825  1.0
  S  S8  1  0.434  0.071  0.776  1.0
  S  S9  1  0.821  0.255  0.564  1.0
  S  S10  1  0.679  0.255  0.064  1.0
  S  S11  1  0.934  0.929  0.724  1.0
  S  S12  1  0.066  0.071  0.276  1.0
  S  S13  1  0.321  0.745  0.936  1.0
  S  S14  1  0.566  0.929  0.224  1.0
  S  S15  1  0.179  0.745  0.436  1.0
  N  N16  1  0.420  0.888  0.938  1.0
  N  N17  1  0.080  0.888  0.438  1.0
  N  N18  1  0.772  0.157  0.736  1.0
  N  N19  1  0.920  0.112  0.562  1.0
  N  N20  1  0.728  0.157  0.236  1.0
  N  N21  1  0.580  0.112  0.062  1.0
  N  N22  1  0.272  0.843  0.764  1.0
  N  N23  1  0.228  0.843  0.264  1.0
  O  O24  1  0.296  0.099  0.533  1.0
  O  O25  1  0.704  0.901  0.467  1.0
  O  O26  1  0.796  0.901  0.967  1.0
  O  O27  1  0.204  0.099  0.033  1.0
  F  F28  1  0.369  0.412  0.513  1.0
  F  F29  1  0.554  0.476  0.759  1.0
  F  F30  1  0.773  0.594  0.682  1.0
  F  F31  1  0.273  0.406  0.818  1.0
  F  F32  1  0.120  0.215  0.766  1.0
  F  F33  1  0.380  0.215  0.266  1.0
  F  F34  1  0.620  0.785  0.734  1.0
  F  F35  1  0.946  0.476  0.259  1.0
  F  F36  1  0.227  0.406  0.318  1.0
  F  F37  1  0.522  0.222  0.460  1.0
  F  F38  1  0.727  0.594  0.182  1.0
  F  F39  1  0.869  0.588  0.987  1.0
  F  F40  1  0.446  0.524  0.241  1.0
  F  F41  1  0.478  0.778  0.540  1.0
  F  F42  1  0.978  0.222  0.960  1.0
  F  F43  1  0.131  0.412  0.013  1.0
  F  F44  1  0.054  0.524  0.741  1.0
  F  F45  1  0.880  0.785  0.234  1.0
  F  F46  1  0.022  0.778  0.040  1.0
  F  F47  1  0.631  0.588  0.487  1.0
[/CIF]
.
The material structure described by CAsN2S2OF5 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CAsN2S2OF5 clusters. C(1) is bonded in a distorted bent 120 degrees geometry to one N(2), one S(1), and one O(1) atom. As(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to one C(1) and one N(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one N(2) atom. O(1) is bonded in a bent 120 degrees geometry to one C(1) and one As(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AsCS2N2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.813
_cell_length_b   8.232
_cell_length_c   9.988
_cell_angle_alpha   61.467
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.129
_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
  As  As0  1  0.124  0.323  0.883  1.0
  As  As1  1  0.376  0.323  0.383  1.0
  As  As2  1  0.624  0.677  0.617  1.0
  As  As3  1  0.876  0.677  0.117  1.0
  C  C4  1  0.675  0.995  0.325  1.0
  C  C5  1  0.325  0.005  0.675  1.0
  C  C6  1  0.175  0.005  0.175  1.0
  C  C7  1  0.825  0.995  0.825  1.0
  S  S8  1  0.434  0.071  0.776  1.0
  S  S9  1  0.821  0.255  0.564  1.0
  S  S10  1  0.679  0.255  0.064  1.0
  S  S11  1  0.934  0.929  0.724  1.0
  S  S12  1  0.066  0.071  0.276  1.0
  S  S13  1  0.321  0.745  0.936  1.0
  S  S14  1  0.566  0.929  0.224  1.0
  S  S15  1  0.179  0.745  0.436  1.0
  N  N16  1  0.420  0.888  0.938  1.0
  N  N17  1  0.080  0.888  0.438  1.0
  N  N18  1  0.772  0.157  0.736  1.0
  N  N19  1  0.920  0.112  0.562  1.0
  N  N20  1  0.728  0.157  0.236  1.0
  N  N21  1  0.580  0.112  0.062  1.0
  N  N22  1  0.272  0.843  0.764  1.0
  N  N23  1  0.228  0.843  0.264  1.0
  O  O24  1  0.296  0.099  0.533  1.0
  O  O25  1  0.704  0.901  0.467  1.0
  O  O26  1  0.796  0.901  0.967  1.0
  O  O27  1  0.204  0.099  0.033  1.0
  F  F28  1  0.369  0.412  0.513  1.0
  F  F29  1  0.554  0.476  0.759  1.0
  F  F30  1  0.773  0.594  0.682  1.0
  F  F31  1  0.273  0.406  0.818  1.0
  F  F32  1  0.120  0.215  0.766  1.0
  F  F33  1  0.380  0.215  0.266  1.0
  F  F34  1  0.620  0.785  0.734  1.0
  F  F35  1  0.946  0.476  0.259  1.0
  F  F36  1  0.227  0.406  0.318  1.0
  F  F37  1  0.522  0.222  0.460  1.0
  F  F38  1  0.727  0.594  0.182  1.0
  F  F39  1  0.869  0.588  0.987  1.0
  F  F40  1  0.446  0.524  0.241  1.0
  F  F41  1  0.478  0.778  0.540  1.0
  F  F42  1  0.978  0.222  0.960  1.0
  F  F43  1  0.131  0.412  0.013  1.0
  F  F44  1  0.054  0.524  0.741  1.0
  F  F45  1  0.880  0.785  0.234  1.0
  F  F46  1  0.022  0.778  0.040  1.0
  F  F47  1  0.631  0.588  0.487  1.0
[/CIF]
.