The material structure described by Te2S(O2F3)2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one F(2), one F(4), and one F(5) atom to form distorted TeO2F3 square pyramids that share corners with two equivalent S(1)O4 tetrahedra. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one F(1), one F(3), and one F(6) atom. 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 corners with two equivalent Te(1)O2F3 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Te(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Te(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Te(2) and one S(1) atom. There are six inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to one Te(2) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(3) is bonded in a single-bond geometry to one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te2S(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.060
_cell_length_b   9.083
_cell_length_c   10.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   835.107
_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
  Te  Te0  1  0.043  0.142  0.045  1.0
  Te  Te1  1  0.554  0.835  0.084  1.0
  Te  Te2  1  0.446  0.335  0.416  1.0
  Te  Te3  1  0.543  0.358  0.955  1.0
  Te  Te4  1  0.946  0.165  0.584  1.0
  Te  Te5  1  0.054  0.665  0.916  1.0
  Te  Te6  1  0.957  0.642  0.455  1.0
  Te  Te7  1  0.457  0.858  0.545  1.0
  S  S8  1  0.832  0.951  0.292  1.0
  S  S9  1  0.332  0.549  0.708  1.0
  S  S10  1  0.168  0.451  0.208  1.0
  S  S11  1  0.668  0.049  0.792  1.0
  O  O12  1  0.550  0.160  0.826  1.0
  O  O13  1  0.363  0.488  0.842  1.0
  O  O14  1  0.137  0.512  0.342  1.0
  O  O15  1  0.450  0.660  0.674  1.0
  O  O16  1  0.684  0.879  0.287  1.0
  O  O17  1  0.829  0.070  0.392  1.0
  O  O18  1  0.671  0.930  0.892  1.0
  O  O19  1  0.816  0.121  0.787  1.0
  O  O20  1  0.171  0.570  0.108  1.0
  O  O21  1  0.050  0.340  0.174  1.0
  O  O22  1  0.637  0.988  0.658  1.0
  O  O23  1  0.950  0.840  0.326  1.0
  O  O24  1  0.863  0.012  0.158  1.0
  O  O25  1  0.184  0.621  0.713  1.0
  O  O26  1  0.316  0.379  0.213  1.0
  O  O27  1  0.329  0.430  0.608  1.0
  F  F28  1  0.501  0.533  0.393  1.0
  F  F29  1  0.341  0.939  0.680  1.0
  F  F30  1  0.892  0.688  0.035  1.0
  F  F31  1  0.001  0.967  0.607  1.0
  F  F32  1  0.108  0.188  0.465  1.0
  F  F33  1  0.499  0.033  0.107  1.0
  F  F34  1  0.574  0.546  0.048  1.0
  F  F35  1  0.926  0.454  0.548  1.0
  F  F36  1  0.999  0.467  0.893  1.0
  F  F37  1  0.392  0.812  0.965  1.0
  F  F38  1  0.724  0.292  0.033  1.0
  F  F39  1  0.918  0.720  0.783  1.0
  F  F40  1  0.841  0.561  0.320  1.0
  F  F41  1  0.426  0.046  0.452  1.0
  F  F42  1  0.608  0.312  0.535  1.0
  F  F43  1  0.582  0.280  0.283  1.0
  F  F44  1  0.418  0.780  0.217  1.0
  F  F45  1  0.082  0.220  0.717  1.0
  F  F46  1  0.224  0.208  0.967  1.0
  F  F47  1  0.276  0.792  0.467  1.0
  F  F48  1  0.659  0.439  0.820  1.0
  F  F49  1  0.159  0.061  0.180  1.0
  F  F50  1  0.074  0.954  0.952  1.0
  F  F51  1  0.776  0.708  0.533  1.0
[/CIF]
.
The material structure described by Te2S(O2F3)2 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one F(2), one F(4), and one F(5) atom to form distorted TeO2F3 square pyramids that share corners with two equivalent S(1)O4 tetrahedra. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one F(1), one F(3), and one F(6) atom. 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 corners with two equivalent Te(1)O2F3 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Te(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Te(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Te(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Te(2) and one S(1) atom. There are six inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Te(2) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to one Te(2) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the sixth F site, F(3) is bonded in a single-bond geometry to one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Te2S(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.060
_cell_length_b   9.083
_cell_length_c   10.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   835.107
_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
  Te  Te0  1  0.043  0.142  0.045  1.0
  Te  Te1  1  0.554  0.835  0.084  1.0
  Te  Te2  1  0.446  0.335  0.416  1.0
  Te  Te3  1  0.543  0.358  0.955  1.0
  Te  Te4  1  0.946  0.165  0.584  1.0
  Te  Te5  1  0.054  0.665  0.916  1.0
  Te  Te6  1  0.957  0.642  0.455  1.0
  Te  Te7  1  0.457  0.858  0.545  1.0
  S  S8  1  0.832  0.951  0.292  1.0
  S  S9  1  0.332  0.549  0.708  1.0
  S  S10  1  0.168  0.451  0.208  1.0
  S  S11  1  0.668  0.049  0.792  1.0
  O  O12  1  0.550  0.160  0.826  1.0
  O  O13  1  0.363  0.488  0.842  1.0
  O  O14  1  0.137  0.512  0.342  1.0
  O  O15  1  0.450  0.660  0.674  1.0
  O  O16  1  0.684  0.879  0.287  1.0
  O  O17  1  0.829  0.070  0.392  1.0
  O  O18  1  0.671  0.930  0.892  1.0
  O  O19  1  0.816  0.121  0.787  1.0
  O  O20  1  0.171  0.570  0.108  1.0
  O  O21  1  0.050  0.340  0.174  1.0
  O  O22  1  0.637  0.988  0.658  1.0
  O  O23  1  0.950  0.840  0.326  1.0
  O  O24  1  0.863  0.012  0.158  1.0
  O  O25  1  0.184  0.621  0.713  1.0
  O  O26  1  0.316  0.379  0.213  1.0
  O  O27  1  0.329  0.430  0.608  1.0
  F  F28  1  0.501  0.533  0.393  1.0
  F  F29  1  0.341  0.939  0.680  1.0
  F  F30  1  0.892  0.688  0.035  1.0
  F  F31  1  0.001  0.967  0.607  1.0
  F  F32  1  0.108  0.188  0.465  1.0
  F  F33  1  0.499  0.033  0.107  1.0
  F  F34  1  0.574  0.546  0.048  1.0
  F  F35  1  0.926  0.454  0.548  1.0
  F  F36  1  0.999  0.467  0.893  1.0
  F  F37  1  0.392  0.812  0.965  1.0
  F  F38  1  0.724  0.292  0.033  1.0
  F  F39  1  0.918  0.720  0.783  1.0
  F  F40  1  0.841  0.561  0.320  1.0
  F  F41  1  0.426  0.046  0.452  1.0
  F  F42  1  0.608  0.312  0.535  1.0
  F  F43  1  0.582  0.280  0.283  1.0
  F  F44  1  0.418  0.780  0.217  1.0
  F  F45  1  0.082  0.220  0.717  1.0
  F  F46  1  0.224  0.208  0.967  1.0
  F  F47  1  0.276  0.792  0.467  1.0
  F  F48  1  0.659  0.439  0.820  1.0
  F  F49  1  0.159  0.061  0.180  1.0
  F  F50  1  0.074  0.954  0.952  1.0
  F  F51  1  0.776  0.708  0.533  1.0
[/CIF]
.