The material described by CdAs2S2(OF3)4 crystallizes in the orthorhombic Fdd2 space group. Cd(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CdO2F4 octahedra that share corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 19-36°. 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 Cd(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-36°. 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 Cd(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 Cd(1) and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and 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 Crystallographic Information File (CIF) [CIF]
data_CdAs2S2(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.181
_cell_length_b   10.354
_cell_length_c   9.123
_cell_angle_alpha   77.135
_cell_angle_beta   55.965
_cell_angle_gamma   46.900
_symmetry_Int_Tables_number   1
_cell_volume   671.479
_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
  Cd  Cd0  1  0.870  0.630  0.630  1.0
  Cd  Cd1  1  0.620  0.380  0.380  1.0
  As  As2  1  0.507  0.605  0.814  1.0
  As  As3  1  0.074  0.814  0.605  1.0
  As  As4  1  0.436  0.176  0.743  1.0
  As  As5  1  0.645  0.743  0.176  1.0
  S  S6  1  0.999  0.707  0.179  1.0
  S  S7  1  0.543  0.251  0.135  1.0
  S  S8  1  0.115  0.179  0.707  1.0
  S  S9  1  0.071  0.135  0.251  1.0
  O  O10  1  0.639  0.262  0.173  1.0
  O  O11  1  0.970  0.231  0.894  1.0
  O  O12  1  0.077  0.325  0.611  1.0
  O  O13  1  0.988  0.611  0.325  1.0
  O  O14  1  0.925  0.173  0.262  1.0
  O  O15  1  0.356  0.345  0.280  1.0
  O  O16  1  0.905  0.894  0.231  1.0
  O  O17  1  0.019  0.280  0.345  1.0
  F  F18  1  0.569  0.236  0.606  1.0
  F  F19  1  0.382  0.541  0.931  1.0
  F  F20  1  0.654  0.943  0.676  1.0
  F  F21  1  0.030  0.831  0.821  1.0
  F  F22  1  0.644  0.661  0.681  1.0
  F  F23  1  0.429  0.932  0.220  1.0
  F  F24  1  0.146  0.931  0.541  1.0
  F  F25  1  0.307  0.596  0.523  1.0
  F  F26  1  0.866  0.543  0.120  1.0
  F  F27  1  0.848  0.017  0.686  1.0
  F  F28  1  0.589  0.606  0.236  1.0
  F  F29  1  0.574  0.523  0.596  1.0
  F  F30  1  0.014  0.681  0.661  1.0
  F  F31  1  0.233  0.402  0.801  1.0
  F  F32  1  0.419  0.220  0.932  1.0
  F  F33  1  0.707  0.384  0.779  1.0
  F  F34  1  0.319  0.104  0.868  1.0
  F  F35  1  0.709  0.868  0.104  1.0
  F  F36  1  0.318  0.821  0.831  1.0
  F  F37  1  0.727  0.676  0.943  1.0
  F  F38  1  0.449  0.686  0.017  1.0
  F  F39  1  0.130  0.779  0.384  1.0
  F  F40  1  0.564  0.801  0.402  1.0
  F  F41  1  0.471  0.120  0.543  1.0
[/CIF]
.
The material described by CdAs2S2(OF3)4 crystallizes in the orthorhombic Fdd2 space group. Cd(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms to form CdO2F4 octahedra that share corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 19-36°. 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 Cd(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-36°. 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 Cd(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 Cd(1) and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one As(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and 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 Crystallographic Information File (CIF) [CIF]
data_CdAs2S2(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.181
_cell_length_b   10.354
_cell_length_c   9.123
_cell_angle_alpha   77.135
_cell_angle_beta   55.965
_cell_angle_gamma   46.900
_symmetry_Int_Tables_number   1
_cell_volume   671.479
_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
  Cd  Cd0  1  0.870  0.630  0.630  1.0
  Cd  Cd1  1  0.620  0.380  0.380  1.0
  As  As2  1  0.507  0.605  0.814  1.0
  As  As3  1  0.074  0.814  0.605  1.0
  As  As4  1  0.436  0.176  0.743  1.0
  As  As5  1  0.645  0.743  0.176  1.0
  S  S6  1  0.999  0.707  0.179  1.0
  S  S7  1  0.543  0.251  0.135  1.0
  S  S8  1  0.115  0.179  0.707  1.0
  S  S9  1  0.071  0.135  0.251  1.0
  O  O10  1  0.639  0.262  0.173  1.0
  O  O11  1  0.970  0.231  0.894  1.0
  O  O12  1  0.077  0.325  0.611  1.0
  O  O13  1  0.988  0.611  0.325  1.0
  O  O14  1  0.925  0.173  0.262  1.0
  O  O15  1  0.356  0.345  0.280  1.0
  O  O16  1  0.905  0.894  0.231  1.0
  O  O17  1  0.019  0.280  0.345  1.0
  F  F18  1  0.569  0.236  0.606  1.0
  F  F19  1  0.382  0.541  0.931  1.0
  F  F20  1  0.654  0.943  0.676  1.0
  F  F21  1  0.030  0.831  0.821  1.0
  F  F22  1  0.644  0.661  0.681  1.0
  F  F23  1  0.429  0.932  0.220  1.0
  F  F24  1  0.146  0.931  0.541  1.0
  F  F25  1  0.307  0.596  0.523  1.0
  F  F26  1  0.866  0.543  0.120  1.0
  F  F27  1  0.848  0.017  0.686  1.0
  F  F28  1  0.589  0.606  0.236  1.0
  F  F29  1  0.574  0.523  0.596  1.0
  F  F30  1  0.014  0.681  0.661  1.0
  F  F31  1  0.233  0.402  0.801  1.0
  F  F32  1  0.419  0.220  0.932  1.0
  F  F33  1  0.707  0.384  0.779  1.0
  F  F34  1  0.319  0.104  0.868  1.0
  F  F35  1  0.709  0.868  0.104  1.0
  F  F36  1  0.318  0.821  0.831  1.0
  F  F37  1  0.727  0.676  0.943  1.0
  F  F38  1  0.449  0.686  0.017  1.0
  F  F39  1  0.130  0.779  0.384  1.0
  F  F40  1  0.564  0.801  0.402  1.0
  F  F41  1  0.471  0.120  0.543  1.0
[/CIF]
.