The structure described by ScTeO3F crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form corner-sharing ScO2F4 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Sc site, Sc(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing ScO6 octahedra. Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(2) and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Sc(2) and one Te(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.850
_cell_length_c   22.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.070
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.750  0.432  0.250  1.0
  Sc  Sc1  1  0.750  0.068  0.750  1.0
  Sc  Sc2  1  0.250  0.568  0.750  1.0
  Sc  Sc3  1  0.250  0.932  0.250  1.0
  Sc  Sc4  1  0.674  0.250  0.500  1.0
  Sc  Sc5  1  0.326  0.750  0.500  1.0
  Sc  Sc6  1  0.826  0.250  0.000  1.0
  Sc  Sc7  1  0.174  0.750  0.000  1.0
  Te  Te8  1  0.690  0.709  0.107  1.0
  Te  Te9  1  0.690  0.791  0.893  1.0
  Te  Te10  1  0.810  0.709  0.393  1.0
  Te  Te11  1  0.810  0.791  0.607  1.0
  Te  Te12  1  0.310  0.291  0.893  1.0
  Te  Te13  1  0.310  0.209  0.107  1.0
  Te  Te14  1  0.190  0.291  0.607  1.0
  Te  Te15  1  0.190  0.209  0.393  1.0
  O  O16  1  0.644  0.457  0.161  1.0
  O  O17  1  0.644  0.043  0.839  1.0
  O  O18  1  0.856  0.457  0.339  1.0
  O  O19  1  0.856  0.043  0.661  1.0
  O  O20  1  0.356  0.543  0.839  1.0
  O  O21  1  0.356  0.957  0.161  1.0
  O  O22  1  0.144  0.543  0.661  1.0
  O  O23  1  0.144  0.957  0.339  1.0
  O  O24  1  0.420  0.631  0.061  1.0
  O  O25  1  0.420  0.869  0.939  1.0
  O  O26  1  0.080  0.631  0.439  1.0
  O  O27  1  0.080  0.869  0.561  1.0
  O  O28  1  0.580  0.369  0.939  1.0
  O  O29  1  0.580  0.131  0.061  1.0
  O  O30  1  0.920  0.369  0.561  1.0
  O  O31  1  0.403  0.057  0.450  1.0
  O  O32  1  0.903  0.557  0.050  1.0
  O  O33  1  0.903  0.943  0.950  1.0
  O  O34  1  0.597  0.557  0.450  1.0
  O  O35  1  0.597  0.943  0.550  1.0
  O  O36  1  0.097  0.443  0.950  1.0
  O  O37  1  0.097  0.057  0.050  1.0
  O  O38  1  0.403  0.443  0.550  1.0
  O  O39  1  0.920  0.131  0.439  1.0
  F  F40  1  0.498  0.190  0.269  1.0
  F  F41  1  0.998  0.810  0.769  1.0
  F  F42  1  0.502  0.690  0.269  1.0
  F  F43  1  0.502  0.810  0.731  1.0
  F  F44  1  0.002  0.310  0.769  1.0
  F  F45  1  0.002  0.190  0.231  1.0
  F  F46  1  0.498  0.310  0.731  1.0
  F  F47  1  0.998  0.690  0.231  1.0
[/CIF]
.
The structure described by ScTeO3F crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form corner-sharing ScO2F4 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Sc site, Sc(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing ScO6 octahedra. Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Te(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(2) and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Sc(2) and one Te(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.850
_cell_length_c   22.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.070
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.750  0.432  0.250  1.0
  Sc  Sc1  1  0.750  0.068  0.750  1.0
  Sc  Sc2  1  0.250  0.568  0.750  1.0
  Sc  Sc3  1  0.250  0.932  0.250  1.0
  Sc  Sc4  1  0.674  0.250  0.500  1.0
  Sc  Sc5  1  0.326  0.750  0.500  1.0
  Sc  Sc6  1  0.826  0.250  0.000  1.0
  Sc  Sc7  1  0.174  0.750  0.000  1.0
  Te  Te8  1  0.690  0.709  0.107  1.0
  Te  Te9  1  0.690  0.791  0.893  1.0
  Te  Te10  1  0.810  0.709  0.393  1.0
  Te  Te11  1  0.810  0.791  0.607  1.0
  Te  Te12  1  0.310  0.291  0.893  1.0
  Te  Te13  1  0.310  0.209  0.107  1.0
  Te  Te14  1  0.190  0.291  0.607  1.0
  Te  Te15  1  0.190  0.209  0.393  1.0
  O  O16  1  0.644  0.457  0.161  1.0
  O  O17  1  0.644  0.043  0.839  1.0
  O  O18  1  0.856  0.457  0.339  1.0
  O  O19  1  0.856  0.043  0.661  1.0
  O  O20  1  0.356  0.543  0.839  1.0
  O  O21  1  0.356  0.957  0.161  1.0
  O  O22  1  0.144  0.543  0.661  1.0
  O  O23  1  0.144  0.957  0.339  1.0
  O  O24  1  0.420  0.631  0.061  1.0
  O  O25  1  0.420  0.869  0.939  1.0
  O  O26  1  0.080  0.631  0.439  1.0
  O  O27  1  0.080  0.869  0.561  1.0
  O  O28  1  0.580  0.369  0.939  1.0
  O  O29  1  0.580  0.131  0.061  1.0
  O  O30  1  0.920  0.369  0.561  1.0
  O  O31  1  0.403  0.057  0.450  1.0
  O  O32  1  0.903  0.557  0.050  1.0
  O  O33  1  0.903  0.943  0.950  1.0
  O  O34  1  0.597  0.557  0.450  1.0
  O  O35  1  0.597  0.943  0.550  1.0
  O  O36  1  0.097  0.443  0.950  1.0
  O  O37  1  0.097  0.057  0.050  1.0
  O  O38  1  0.403  0.443  0.550  1.0
  O  O39  1  0.920  0.131  0.439  1.0
  F  F40  1  0.498  0.190  0.269  1.0
  F  F41  1  0.998  0.810  0.769  1.0
  F  F42  1  0.502  0.690  0.269  1.0
  F  F43  1  0.502  0.810  0.731  1.0
  F  F44  1  0.002  0.310  0.769  1.0
  F  F45  1  0.002  0.190  0.231  1.0
  F  F46  1  0.498  0.310  0.731  1.0
  F  F47  1  0.998  0.690  0.231  1.0
[/CIF]
.