The structure described by TmSeO3F crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), three equivalent O(1), and two equivalent F(1) atoms. Se(1) is bonded in a trigonal non-coplanar 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 4-coordinate geometry to three equivalent Tm(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Tm(1) and one Se(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_TmSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.926
_cell_length_b   6.588
_cell_length_c   7.162
_cell_angle_alpha   81.680
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.345
_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
  Tm  Tm0  1  0.859  0.862  0.825  1.0
  Tm  Tm1  1  0.141  0.138  0.175  1.0
  Tm  Tm2  1  0.641  0.862  0.325  1.0
  Tm  Tm3  1  0.359  0.138  0.675  1.0
  Se  Se4  1  0.880  0.352  0.710  1.0
  Se  Se5  1  0.620  0.352  0.210  1.0
  Se  Se6  1  0.120  0.648  0.290  1.0
  Se  Se7  1  0.380  0.648  0.790  1.0
  O  O8  1  0.470  0.172  0.353  1.0
  O  O9  1  0.530  0.828  0.647  1.0
  O  O10  1  0.192  0.826  0.779  1.0
  O  O11  1  0.308  0.826  0.279  1.0
  O  O12  1  0.814  0.518  0.861  1.0
  O  O13  1  0.030  0.172  0.853  1.0
  O  O14  1  0.692  0.174  0.721  1.0
  O  O15  1  0.686  0.518  0.361  1.0
  O  O16  1  0.970  0.828  0.147  1.0
  O  O17  1  0.186  0.482  0.139  1.0
  O  O18  1  0.314  0.482  0.639  1.0
  O  O19  1  0.808  0.174  0.221  1.0
  F  F20  1  0.620  0.835  0.026  1.0
  F  F21  1  0.380  0.165  0.974  1.0
  F  F22  1  0.120  0.165  0.474  1.0
  F  F23  1  0.880  0.835  0.526  1.0
[/CIF]
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The structure described by TmSeO3F crystallizes in the monoclinic P2_1/c space group. Tm(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(2), three equivalent O(1), and two equivalent F(1) atoms. Se(1) is bonded in a trigonal non-coplanar 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 4-coordinate geometry to three equivalent Tm(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Tm(1) and one Se(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_TmSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.926
_cell_length_b   6.588
_cell_length_c   7.162
_cell_angle_alpha   81.680
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.345
_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
  Tm  Tm0  1  0.859  0.862  0.825  1.0
  Tm  Tm1  1  0.141  0.138  0.175  1.0
  Tm  Tm2  1  0.641  0.862  0.325  1.0
  Tm  Tm3  1  0.359  0.138  0.675  1.0
  Se  Se4  1  0.880  0.352  0.710  1.0
  Se  Se5  1  0.620  0.352  0.210  1.0
  Se  Se6  1  0.120  0.648  0.290  1.0
  Se  Se7  1  0.380  0.648  0.790  1.0
  O  O8  1  0.470  0.172  0.353  1.0
  O  O9  1  0.530  0.828  0.647  1.0
  O  O10  1  0.192  0.826  0.779  1.0
  O  O11  1  0.308  0.826  0.279  1.0
  O  O12  1  0.814  0.518  0.861  1.0
  O  O13  1  0.030  0.172  0.853  1.0
  O  O14  1  0.692  0.174  0.721  1.0
  O  O15  1  0.686  0.518  0.361  1.0
  O  O16  1  0.970  0.828  0.147  1.0
  O  O17  1  0.186  0.482  0.139  1.0
  O  O18  1  0.314  0.482  0.639  1.0
  O  O19  1  0.808  0.174  0.221  1.0
  F  F20  1  0.620  0.835  0.026  1.0
  F  F21  1  0.380  0.165  0.974  1.0
  F  F22  1  0.120  0.165  0.474  1.0
  F  F23  1  0.880  0.835  0.526  1.0
[/CIF]
.