The structure described by Tb2SeOF2 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 4-coordinate geometry to four equivalent Se(1), three equivalent O(1), and one F(2) atom. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(1), three equivalent F(1), and three equivalent F(2) atoms. Se(1) is bonded to two equivalent Tb(2) and four equivalent Tb(1) atoms to form distorted SeTb6 pentagonal pyramids that share corners with four equivalent Se(1)Tb6 pentagonal pyramids, corners with four equivalent F(2)Tb4 tetrahedra, corners with six equivalent O(1)Tb4 tetrahedra, edges with two equivalent Se(1)Tb6 pentagonal pyramids, edges with three equivalent F(2)Tb4 tetrahedra, edges with four equivalent O(1)Tb4 tetrahedra, and faces with two equivalent Se(1)Tb6 pentagonal pyramids. O(1) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with six equivalent Se(1)Tb6 pentagonal pyramids, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(2)Tb4 tetrahedra, edges with four equivalent Se(1)Tb6 pentagonal pyramids, edges with two equivalent O(1)Tb4 tetrahedra, and edges with two equivalent F(2)Tb4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Tb(2) atoms. In the second F site, F(2) is bonded to one Tb(1) and three equivalent Tb(2) atoms to form FTb4 tetrahedra that share corners with four equivalent Se(1)Tb6 pentagonal pyramids, corners with two equivalent O(1)Tb4 tetrahedra, corners with six equivalent F(2)Tb4 tetrahedra, edges with three equivalent Se(1)Tb6 pentagonal pyramids, and edges with two equivalent O(1)Tb4 tetrahedra. is represented by the CIF card [CIF]
data_Tb2SeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.364
_cell_length_b   13.364
_cell_length_c   3.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.386
_cell_formula_units_Z   6
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
  Tb  Tb0  1  0.397  0.883  0.250  1.0
  Tb  Tb1  1  0.486  0.603  0.250  1.0
  Tb  Tb2  1  0.117  0.514  0.250  1.0
  Tb  Tb3  1  0.603  0.117  0.750  1.0
  Tb  Tb4  1  0.514  0.397  0.750  1.0
  Tb  Tb5  1  0.883  0.486  0.750  1.0
  Tb  Tb6  1  0.055  0.766  0.250  1.0
  Tb  Tb7  1  0.711  0.945  0.250  1.0
  Tb  Tb8  1  0.234  0.289  0.250  1.0
  Tb  Tb9  1  0.945  0.234  0.750  1.0
  Tb  Tb10  1  0.289  0.055  0.750  1.0
  Tb  Tb11  1  0.766  0.711  0.750  1.0
  Se  Se12  1  0.719  0.513  0.250  1.0
  Se  Se13  1  0.794  0.281  0.250  1.0
  Se  Se14  1  0.487  0.206  0.250  1.0
  Se  Se15  1  0.281  0.487  0.750  1.0
  Se  Se16  1  0.206  0.719  0.750  1.0
  Se  Se17  1  0.513  0.794  0.750  1.0
  O  O18  1  0.986  0.573  0.250  1.0
  O  O19  1  0.588  0.014  0.250  1.0
  O  O20  1  0.427  0.412  0.250  1.0
  O  O21  1  0.014  0.427  0.750  1.0
  O  O22  1  0.412  0.986  0.750  1.0
  O  O23  1  0.573  0.588  0.750  1.0
  F  F24  1  0.894  0.793  0.250  1.0
  F  F25  1  0.899  0.106  0.250  1.0
  F  F26  1  0.207  0.101  0.250  1.0
  F  F27  1  0.106  0.207  0.750  1.0
  F  F28  1  0.101  0.894  0.750  1.0
  F  F29  1  0.793  0.899  0.750  1.0
  F  F30  1  0.248  0.933  0.250  1.0
  F  F31  1  0.685  0.752  0.250  1.0
  F  F32  1  0.067  0.315  0.250  1.0
  F  F33  1  0.752  0.067  0.750  1.0
  F  F34  1  0.315  0.248  0.750  1.0
  F  F35  1  0.933  0.685  0.750  1.0
[/CIF]
.
The structure described by Tb2SeOF2 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 4-coordinate geometry to four equivalent Se(1), three equivalent O(1), and one F(2) atom. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(1), three equivalent F(1), and three equivalent F(2) atoms. Se(1) is bonded to two equivalent Tb(2) and four equivalent Tb(1) atoms to form distorted SeTb6 pentagonal pyramids that share corners with four equivalent Se(1)Tb6 pentagonal pyramids, corners with four equivalent F(2)Tb4 tetrahedra, corners with six equivalent O(1)Tb4 tetrahedra, edges with two equivalent Se(1)Tb6 pentagonal pyramids, edges with three equivalent F(2)Tb4 tetrahedra, edges with four equivalent O(1)Tb4 tetrahedra, and faces with two equivalent Se(1)Tb6 pentagonal pyramids. O(1) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with six equivalent Se(1)Tb6 pentagonal pyramids, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(2)Tb4 tetrahedra, edges with four equivalent Se(1)Tb6 pentagonal pyramids, edges with two equivalent O(1)Tb4 tetrahedra, and edges with two equivalent F(2)Tb4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Tb(2) atoms. In the second F site, F(2) is bonded to one Tb(1) and three equivalent Tb(2) atoms to form FTb4 tetrahedra that share corners with four equivalent Se(1)Tb6 pentagonal pyramids, corners with two equivalent O(1)Tb4 tetrahedra, corners with six equivalent F(2)Tb4 tetrahedra, edges with three equivalent Se(1)Tb6 pentagonal pyramids, and edges with two equivalent O(1)Tb4 tetrahedra. is represented by the CIF card [CIF]
data_Tb2SeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.364
_cell_length_b   13.364
_cell_length_c   3.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   578.386
_cell_formula_units_Z   6
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
  Tb  Tb0  1  0.397  0.883  0.250  1.0
  Tb  Tb1  1  0.486  0.603  0.250  1.0
  Tb  Tb2  1  0.117  0.514  0.250  1.0
  Tb  Tb3  1  0.603  0.117  0.750  1.0
  Tb  Tb4  1  0.514  0.397  0.750  1.0
  Tb  Tb5  1  0.883  0.486  0.750  1.0
  Tb  Tb6  1  0.055  0.766  0.250  1.0
  Tb  Tb7  1  0.711  0.945  0.250  1.0
  Tb  Tb8  1  0.234  0.289  0.250  1.0
  Tb  Tb9  1  0.945  0.234  0.750  1.0
  Tb  Tb10  1  0.289  0.055  0.750  1.0
  Tb  Tb11  1  0.766  0.711  0.750  1.0
  Se  Se12  1  0.719  0.513  0.250  1.0
  Se  Se13  1  0.794  0.281  0.250  1.0
  Se  Se14  1  0.487  0.206  0.250  1.0
  Se  Se15  1  0.281  0.487  0.750  1.0
  Se  Se16  1  0.206  0.719  0.750  1.0
  Se  Se17  1  0.513  0.794  0.750  1.0
  O  O18  1  0.986  0.573  0.250  1.0
  O  O19  1  0.588  0.014  0.250  1.0
  O  O20  1  0.427  0.412  0.250  1.0
  O  O21  1  0.014  0.427  0.750  1.0
  O  O22  1  0.412  0.986  0.750  1.0
  O  O23  1  0.573  0.588  0.750  1.0
  F  F24  1  0.894  0.793  0.250  1.0
  F  F25  1  0.899  0.106  0.250  1.0
  F  F26  1  0.207  0.101  0.250  1.0
  F  F27  1  0.106  0.207  0.750  1.0
  F  F28  1  0.101  0.894  0.750  1.0
  F  F29  1  0.793  0.899  0.750  1.0
  F  F30  1  0.248  0.933  0.250  1.0
  F  F31  1  0.685  0.752  0.250  1.0
  F  F32  1  0.067  0.315  0.250  1.0
  F  F33  1  0.752  0.067  0.750  1.0
  F  F34  1  0.315  0.248  0.750  1.0
  F  F35  1  0.933  0.685  0.750  1.0
[/CIF]
.