The material structure described by Tb3SOF5 crystallizes in the monoclinic Pm space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(1), one O(2), one F(1), two equivalent F(6), and two equivalent F(9) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(2), one F(7), two equivalent F(10), and two equivalent F(4) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(1), one F(3), one F(7), two equivalent F(5), and two equivalent F(8) atoms. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent O(2), one F(4), one F(8), one F(9), and two equivalent F(3) atoms. In the fifth Tb site, Tb(5) is bonded in a 9-coordinate geometry to two equivalent S(1), one F(10), one F(5), one F(9), two equivalent F(1), and two equivalent F(7) atoms. In the sixth Tb site, Tb(6) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent O(1), one F(10), one F(6), one F(8), and two equivalent F(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tb(4), two equivalent Tb(5), and two equivalent Tb(6) atoms to form distorted STb6 pentagonal pyramids that share corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra,  an edgeedge with one O(1)Tb4 tetrahedra,  an edgeedge with one O(2)Tb4 tetrahedra,  an edgeedge with one F(7)Tb4 tetrahedra, edges with two equivalent F(10)Tb4 tetrahedra, edges with two equivalent F(8)Tb4 tetrahedra, edges with two equivalent F(9)Tb4 tetrahedra, and faces with two equivalent S(1)Tb6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms to form distorted STb6 pentagonal pyramids that share corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one F(10)Tb4 tetrahedra,  an edgeedge with one F(8)Tb4 tetrahedra,  an edgeedge with one F(9)Tb4 tetrahedra, edges with two equivalent O(1)Tb4 tetrahedra, edges with two equivalent O(2)Tb4 tetrahedra, edges with two equivalent F(7)Tb4 tetrahedra, and faces with two equivalent S(2)Tb6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), one Tb(3), and two equivalent Tb(6) atoms to form OTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(2)Tb4 tetrahedra,  a cornercorner with one F(7)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(8)Tb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(1)Tb4 tetrahedra,  a cornercorner with one F(7)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(9)Tb4 tetrahedra. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Tb(1) and two equivalent Tb(5) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Tb(2) and two equivalent Tb(6) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Tb(3) and two equivalent Tb(4) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Tb(4) and two equivalent Tb(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Tb(5) and two equivalent Tb(3) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Tb(6) and two equivalent Tb(1) atoms. In the seventh F site, F(7) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(5) atoms to form FTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(1)Tb4 tetrahedra,  a cornercorner with one O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(10)Tb4 tetrahedra. In the eighth F site, F(8) is bonded to one Tb(4), one Tb(6), and two equivalent Tb(3) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(10)Tb4 tetrahedra,  a cornercorner with one F(9)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent O(1)Tb4 tetrahedra. In the ninth F site, F(9) is bonded to one Tb(4), one Tb(5), and two equivalent Tb(1) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(10)Tb4 tetrahedra,  a cornercorner with one F(8)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent O(2)Tb4 tetrahedra. In the tenth F site, F(10) is bonded to one Tb(5), one Tb(6), and two equivalent Tb(2) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(8)Tb4 tetrahedra,  a cornercorner with one F(9)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent F(7)Tb4 tetrahedra. is represented by the CIF file [CIF]
data_Tb3SOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.702
_cell_length_b   9.444
_cell_length_c   9.503
_cell_angle_alpha   60.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.012
_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
  Tb  Tb0  1  0.000  0.418  0.866  1.0
  Tb  Tb1  1  0.000  0.868  0.729  1.0
  Tb  Tb2  1  0.000  0.701  0.415  1.0
  Tb  Tb3  1  0.500  0.595  0.103  1.0
  Tb  Tb4  1  0.500  0.123  0.286  1.0
  Tb  Tb5  1  0.500  0.296  0.597  1.0
  S  S6  1  0.000  0.329  0.333  1.0
  S  S7  1  0.500  0.673  0.662  1.0
  O  O8  1  0.000  0.437  0.612  1.0
  O  O9  1  0.000  0.617  0.948  1.0
  F  F10  1  0.000  0.159  0.120  1.0
  F  F11  1  0.000  0.112  0.726  1.0
  F  F12  1  0.000  0.724  0.163  1.0
  F  F13  1  0.500  0.855  0.882  1.0
  F  F14  1  0.500  0.879  0.286  1.0
  F  F15  1  0.500  0.272  0.850  1.0
  F  F16  1  0.000  0.953  0.433  1.0
  F  F17  1  0.500  0.569  0.374  1.0
  F  F18  1  0.500  0.378  0.047  1.0
  F  F19  1  0.500  0.044  0.567  1.0
[/CIF]
.
The material structure described by Tb3SOF5 crystallizes in the monoclinic Pm space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(1), one O(2), one F(1), two equivalent F(6), and two equivalent F(9) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(2), one F(7), two equivalent F(10), and two equivalent F(4) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(1), one F(3), one F(7), two equivalent F(5), and two equivalent F(8) atoms. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent O(2), one F(4), one F(8), one F(9), and two equivalent F(3) atoms. In the fifth Tb site, Tb(5) is bonded in a 9-coordinate geometry to two equivalent S(1), one F(10), one F(5), one F(9), two equivalent F(1), and two equivalent F(7) atoms. In the sixth Tb site, Tb(6) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent O(1), one F(10), one F(6), one F(8), and two equivalent F(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tb(4), two equivalent Tb(5), and two equivalent Tb(6) atoms to form distorted STb6 pentagonal pyramids that share corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra,  an edgeedge with one O(1)Tb4 tetrahedra,  an edgeedge with one O(2)Tb4 tetrahedra,  an edgeedge with one F(7)Tb4 tetrahedra, edges with two equivalent F(10)Tb4 tetrahedra, edges with two equivalent F(8)Tb4 tetrahedra, edges with two equivalent F(9)Tb4 tetrahedra, and faces with two equivalent S(1)Tb6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms to form distorted STb6 pentagonal pyramids that share corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one F(10)Tb4 tetrahedra,  an edgeedge with one F(8)Tb4 tetrahedra,  an edgeedge with one F(9)Tb4 tetrahedra, edges with two equivalent O(1)Tb4 tetrahedra, edges with two equivalent O(2)Tb4 tetrahedra, edges with two equivalent F(7)Tb4 tetrahedra, and faces with two equivalent S(2)Tb6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), one Tb(3), and two equivalent Tb(6) atoms to form OTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(2)Tb4 tetrahedra,  a cornercorner with one F(7)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(8)Tb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(1)Tb4 tetrahedra,  a cornercorner with one F(7)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(9)Tb4 tetrahedra. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Tb(1) and two equivalent Tb(5) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Tb(2) and two equivalent Tb(6) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Tb(3) and two equivalent Tb(4) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Tb(4) and two equivalent Tb(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Tb(5) and two equivalent Tb(3) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Tb(6) and two equivalent Tb(1) atoms. In the seventh F site, F(7) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(5) atoms to form FTb4 tetrahedra that share corners with two equivalent S(1)Tb6 pentagonal pyramids,  a cornercorner with one O(1)Tb4 tetrahedra,  a cornercorner with one O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(1)Tb6 pentagonal pyramid, edges with two equivalent S(2)Tb6 pentagonal pyramids, and edges with two equivalent F(10)Tb4 tetrahedra. In the eighth F site, F(8) is bonded to one Tb(4), one Tb(6), and two equivalent Tb(3) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(10)Tb4 tetrahedra,  a cornercorner with one F(9)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(8)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent O(1)Tb4 tetrahedra. In the ninth F site, F(9) is bonded to one Tb(4), one Tb(5), and two equivalent Tb(1) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(10)Tb4 tetrahedra,  a cornercorner with one F(8)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent F(7)Tb4 tetrahedra, corners with two equivalent F(9)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent O(2)Tb4 tetrahedra. In the tenth F site, F(10) is bonded to one Tb(5), one Tb(6), and two equivalent Tb(2) atoms to form FTb4 tetrahedra that share corners with two equivalent S(2)Tb6 pentagonal pyramids,  a cornercorner with one F(8)Tb4 tetrahedra,  a cornercorner with one F(9)Tb4 tetrahedra, corners with two equivalent O(1)Tb4 tetrahedra, corners with two equivalent O(2)Tb4 tetrahedra, corners with two equivalent F(10)Tb4 tetrahedra,  an edgeedge with one S(2)Tb6 pentagonal pyramid, edges with two equivalent S(1)Tb6 pentagonal pyramids, and edges with two equivalent F(7)Tb4 tetrahedra. is represented by the CIF file [CIF]
data_Tb3SOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.702
_cell_length_b   9.444
_cell_length_c   9.503
_cell_angle_alpha   60.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.012
_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
  Tb  Tb0  1  0.000  0.418  0.866  1.0
  Tb  Tb1  1  0.000  0.868  0.729  1.0
  Tb  Tb2  1  0.000  0.701  0.415  1.0
  Tb  Tb3  1  0.500  0.595  0.103  1.0
  Tb  Tb4  1  0.500  0.123  0.286  1.0
  Tb  Tb5  1  0.500  0.296  0.597  1.0
  S  S6  1  0.000  0.329  0.333  1.0
  S  S7  1  0.500  0.673  0.662  1.0
  O  O8  1  0.000  0.437  0.612  1.0
  O  O9  1  0.000  0.617  0.948  1.0
  F  F10  1  0.000  0.159  0.120  1.0
  F  F11  1  0.000  0.112  0.726  1.0
  F  F12  1  0.000  0.724  0.163  1.0
  F  F13  1  0.500  0.855  0.882  1.0
  F  F14  1  0.500  0.879  0.286  1.0
  F  F15  1  0.500  0.272  0.850  1.0
  F  F16  1  0.000  0.953  0.433  1.0
  F  F17  1  0.500  0.569  0.374  1.0
  F  F18  1  0.500  0.378  0.047  1.0
  F  F19  1  0.500  0.044  0.567  1.0
[/CIF]
.