The crystal structure described by Gd6S3(OF4)2 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 5-coordinate geometry to two equivalent S(5), two equivalent S(6), two equivalent O(3), one F(13), one F(16), and one F(7) atom. In the second Gd site, Gd(2) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(6), one O(1), two equivalent O(4), one F(13), and one F(8) atom. In the third Gd site, Gd(3) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(5), two equivalent O(2), one F(13), one F(15), and one F(9) atom. In the fourth Gd site, Gd(4) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(3), one F(10), one F(14), and two equivalent F(16) atoms. In the fifth Gd site, Gd(5) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(4), two equivalent O(1), one F(11), and one F(14) atom. In the sixth Gd site, Gd(6) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(2), one F(12), one F(14), and two equivalent F(15) atoms. In the seventh Gd site, Gd(7) is bonded in a 7-coordinate geometry to two equivalent S(5), one F(1), one F(15), one F(7), two equivalent F(12), and two equivalent F(5) atoms. In the eighth Gd site, Gd(8) is bonded in a 9-coordinate geometry to two equivalent S(6), one F(16), one F(2), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the ninth Gd site, Gd(9) is bonded in a 9-coordinate geometry to two equivalent S(4), one O(1), one F(3), one F(9), two equivalent F(11), and two equivalent F(4) atoms. In the tenth Gd site, Gd(10) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(10), one F(4), two equivalent F(2), and two equivalent F(9) atoms. In the eleventh Gd site, Gd(11) is bonded in a 9-coordinate geometry to two equivalent S(3), one O(3), one F(11), one F(5), two equivalent F(3), and two equivalent F(7) atoms. In the twelfth Gd site, Gd(12) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), one F(12), one F(6), two equivalent F(1), and two equivalent F(8) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(12), two equivalent Gd(5), and two equivalent Gd(6) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent O(1)Gd4 tetrahedra, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid,  an edgeedge with one O(1)Gd4 tetrahedra,  an edgeedge with one F(15)Gd4 tetrahedra,  an edgeedge with one F(8)Gd4 tetrahedra, edges with two equivalent O(4)Gd4 tetrahedra, edges with two equivalent F(12)Gd4 tetrahedra, and faces with two equivalent S(1)Gd6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Gd(10), two equivalent Gd(4), and two equivalent Gd(6) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent O(3)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid,  an edgeedge with one F(15)Gd4 tetrahedra,  an edgeedge with one F(16)Gd4 tetrahedra,  an edgeedge with one F(9)Gd4 tetrahedra, edges with two equivalent O(2)Gd4 tetrahedra, edges with two equivalent F(10)Gd4 tetrahedra, and faces with two equivalent S(2)Gd6 pentagonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Gd(11), two equivalent Gd(4), and two equivalent Gd(5) atoms. In the fourth S site, S(4) is bonded to two equivalent Gd(2), two equivalent Gd(3), and two equivalent Gd(9) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(5)Gd6 pentagonal pyramids, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent O(4)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid,  an edgeedge with one O(2)Gd4 tetrahedra,  an edgeedge with one O(4)Gd4 tetrahedra,  an edgeedge with one F(11)Gd4 tetrahedra, edges with two equivalent O(1)Gd4 tetrahedra, edges with two equivalent F(9)Gd4 tetrahedra, and faces with two equivalent S(4)Gd6 pentagonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Gd(1), two equivalent Gd(3), and two equivalent Gd(7) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(4)Gd6 pentagonal pyramids, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent O(3)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid,  an edgeedge with one O(2)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4 tetrahedra,  an edgeedge with one F(12)Gd4 tetrahedra, edges with two equivalent F(15)Gd4 tetrahedra, edges with two equivalent F(7)Gd4 tetrahedra, and faces with two equivalent S(5)Gd6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), and two equivalent Gd(8) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Gd(2), one Gd(9), and two equivalent Gd(5) atoms to form OGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids,  a cornercorner with one F(8)Gd4 tetrahedra,  a cornercorner with one F(9)Gd4 tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid, edges with two equivalent S(4)Gd6 pentagonal pyramids, edges with two equivalent O(4)Gd4 tetrahedra, and edges with two equivalent F(11)Gd4 tetrahedra. In the second O site, O(2) is bonded to one Gd(10), one Gd(6), and two equivalent Gd(3) atoms to form OGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(10)Gd4 tetrahedra,  a cornercorner with one F(12)Gd4 tetrahedra, corners with two equivalent O(2)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent S(2)Gd6 pentagonal pyramids, edges with two equivalent F(15)Gd4 tetrahedra, and edges with two equivalent F(9)Gd4 tetrahedra. In the third O site, O(3) is bonded to one Gd(11), one Gd(4), and two equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(10)Gd4 tetrahedra,  a cornercorner with one F(11)Gd4 tetrahedra, corners with two equivalent O(3)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent F(16)Gd4 tetrahedra, and edges with two equivalent F(7)Gd4 tetrahedra. In the fourth O site, O(4) is bonded to one Gd(12), one Gd(5), and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one F(11)Gd4 tetrahedra,  a cornercorner with one F(12)Gd4 tetrahedra, corners with two equivalent O(4)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid, edges with two equivalent S(1)Gd6 pentagonal pyramids, edges with two equivalent O(1)Gd4 tetrahedra, and edges with two equivalent F(8)Gd4 tetrahedra. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Gd(7) and two equivalent Gd(12) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Gd(8) and two equivalent Gd(10) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Gd(9) and two equivalent Gd(11) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Gd(10) and two equivalent Gd(9) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Gd(11) and two equivalent Gd(7) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Gd(12) and two equivalent Gd(8) atoms. In the seventh F site, F(7) is bonded to one Gd(1), one Gd(7), and two equivalent Gd(11) atoms to form FGd4 tetrahedra that share  a cornercorner with one F(15)Gd4 tetrahedra,  a cornercorner with one F(16)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, edges with two equivalent S(5)Gd6 pentagonal pyramids, and edges with two equivalent O(3)Gd4 tetrahedra. In the eighth F site, F(8) is bonded to one Gd(2), one Gd(8), and two equivalent Gd(12) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one O(1)Gd4 tetrahedra,  a cornercorner with one F(16)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid, and edges with two equivalent O(4)Gd4 tetrahedra. In the ninth F site, F(9) is bonded to one Gd(3), one Gd(9), and two equivalent Gd(10) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one O(1)Gd4 tetrahedra,  a cornercorner with one F(15)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent S(4)Gd6 pentagonal pyramids, and edges with two equivalent O(2)Gd4 tetrahedra. In the tenth F site, F(10) is bonded to one Gd(10), one Gd(4), and two equivalent Gd(8) atoms to form FGd4 tetrahedra that share  a cornercorner with one O(2)Gd4 tetrahedra,  a cornercorner with one O(3)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra, edges with two equivalent S(2)Gd6 pentagonal pyramids, and edges with two equivalent F(16)Gd4 tetrahedra. In the eleventh F site, F(11) is bonded to one Gd(11), one Gd(5), and two equivalent Gd(9) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one O(3)Gd4 tetrahedra,  a cornercorner with one O(4)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid, and edges with two equivalent O(1)Gd4 tetrahedra. In the twelfth F site, F(12) is bonded to one Gd(12), one Gd(6), and two equivalent Gd(7) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one O(2)Gd4 tetrahedra,  a cornercorner with one O(4)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent S(1)Gd6 pentagonal pyramids, and edges with two equivalent F(15)Gd4 tetrahedra. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Gd(4), one Gd(5), and one Gd(6) atom. In the fifteenth F site, F(15) is bonded to one Gd(3), one Gd(7), and two equivalent Gd(6) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one F(7)Gd4 tetrahedra,  a cornercorner with one F(9)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent S(5)Gd6 pentagonal pyramids, edges with two equivalent O(2)Gd4 tetrahedra, and edges with two equivalent F(12)Gd4 tetrahedra. In the sixteenth F site, F(16) is bonded to one Gd(1), one Gd(8), and two equivalent Gd(4) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(7)Gd4 tetrahedra,  a cornercorner with one F(8)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent O(3)Gd4 tetrahedra, and edges with two equivalent F(10)Gd4 tetrahedra. is represented by the CIF card [CIF]
data_Gd6S3(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.790
_cell_length_b   13.409
_cell_length_c   13.407
_cell_angle_alpha   120.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.673
_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
  Gd  Gd0  1  0.750  0.611  0.474  1.0
  Gd  Gd1  1  0.750  0.527  0.129  1.0
  Gd  Gd2  1  0.750  0.862  0.386  1.0
  Gd  Gd3  1  0.250  0.399  0.538  1.0
  Gd  Gd4  1  0.250  0.475  0.874  1.0
  Gd  Gd5  1  0.250  0.141  0.604  1.0
  Gd  Gd6  1  0.750  0.943  0.718  1.0
  Gd  Gd7  1  0.750  0.283  0.225  1.0
  Gd  Gd8  1  0.750  0.764  0.053  1.0
  Gd  Gd9  1  0.250  0.054  0.290  1.0
  Gd  Gd10  1  0.250  0.708  0.764  1.0
  Gd  Gd11  1  0.250  0.236  0.942  1.0
  S  S12  1  0.750  0.273  0.802  1.0
  S  S13  1  0.750  0.197  0.474  1.0
  S  S14  1  0.750  0.527  0.718  1.0
  S  S15  1  0.250  0.723  0.194  1.0
  S  S16  1  0.250  0.812  0.532  1.0
  S  S17  1  0.250  0.468  0.282  1.0
  O  O18  1  0.750  0.567  0.980  1.0
  O  O19  1  0.250  0.983  0.418  1.0
  O  O20  1  0.250  0.583  0.564  1.0
  O  O21  1  0.250  0.432  0.020  1.0
  F  F22  1  0.750  0.103  0.902  1.0
  F  F23  1  0.750  0.098  0.202  1.0
  F  F24  1  0.750  0.797  0.894  1.0
  F  F25  1  0.250  0.897  0.098  1.0
  F  F26  1  0.250  0.903  0.801  1.0
  F  F27  1  0.250  0.199  0.101  1.0
  F  F28  1  0.750  0.752  0.682  1.0
  F  F29  1  0.750  0.317  0.069  1.0
  F  F30  1  0.750  0.931  0.249  1.0
  F  F31  1  0.250  0.254  0.323  1.0
  F  F32  1  0.250  0.680  0.928  1.0
  F  F33  1  0.250  0.067  0.745  1.0
  F  F34  1  0.750  0.666  0.333  1.0
  F  F35  1  0.250  0.336  0.670  1.0
  F  F36  1  0.750  0.021  0.588  1.0
  F  F37  1  0.750  0.410  0.433  1.0
[/CIF]
.
The crystal structure described by Gd6S3(OF4)2 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 5-coordinate geometry to two equivalent S(5), two equivalent S(6), two equivalent O(3), one F(13), one F(16), and one F(7) atom. In the second Gd site, Gd(2) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(6), one O(1), two equivalent O(4), one F(13), and one F(8) atom. In the third Gd site, Gd(3) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(5), two equivalent O(2), one F(13), one F(15), and one F(9) atom. In the fourth Gd site, Gd(4) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(3), one F(10), one F(14), and two equivalent F(16) atoms. In the fifth Gd site, Gd(5) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(4), two equivalent O(1), one F(11), and one F(14) atom. In the sixth Gd site, Gd(6) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(2), one F(12), one F(14), and two equivalent F(15) atoms. In the seventh Gd site, Gd(7) is bonded in a 7-coordinate geometry to two equivalent S(5), one F(1), one F(15), one F(7), two equivalent F(12), and two equivalent F(5) atoms. In the eighth Gd site, Gd(8) is bonded in a 9-coordinate geometry to two equivalent S(6), one F(16), one F(2), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the ninth Gd site, Gd(9) is bonded in a 9-coordinate geometry to two equivalent S(4), one O(1), one F(3), one F(9), two equivalent F(11), and two equivalent F(4) atoms. In the tenth Gd site, Gd(10) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(10), one F(4), two equivalent F(2), and two equivalent F(9) atoms. In the eleventh Gd site, Gd(11) is bonded in a 9-coordinate geometry to two equivalent S(3), one O(3), one F(11), one F(5), two equivalent F(3), and two equivalent F(7) atoms. In the twelfth Gd site, Gd(12) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), one F(12), one F(6), two equivalent F(1), and two equivalent F(8) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Gd(12), two equivalent Gd(5), and two equivalent Gd(6) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent O(1)Gd4 tetrahedra, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid,  an edgeedge with one O(1)Gd4 tetrahedra,  an edgeedge with one F(15)Gd4 tetrahedra,  an edgeedge with one F(8)Gd4 tetrahedra, edges with two equivalent O(4)Gd4 tetrahedra, edges with two equivalent F(12)Gd4 tetrahedra, and faces with two equivalent S(1)Gd6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Gd(10), two equivalent Gd(4), and two equivalent Gd(6) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent O(3)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid,  an edgeedge with one F(15)Gd4 tetrahedra,  an edgeedge with one F(16)Gd4 tetrahedra,  an edgeedge with one F(9)Gd4 tetrahedra, edges with two equivalent O(2)Gd4 tetrahedra, edges with two equivalent F(10)Gd4 tetrahedra, and faces with two equivalent S(2)Gd6 pentagonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Gd(11), two equivalent Gd(4), and two equivalent Gd(5) atoms. In the fourth S site, S(4) is bonded to two equivalent Gd(2), two equivalent Gd(3), and two equivalent Gd(9) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(5)Gd6 pentagonal pyramids, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent O(4)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid,  an edgeedge with one O(2)Gd4 tetrahedra,  an edgeedge with one O(4)Gd4 tetrahedra,  an edgeedge with one F(11)Gd4 tetrahedra, edges with two equivalent O(1)Gd4 tetrahedra, edges with two equivalent F(9)Gd4 tetrahedra, and faces with two equivalent S(4)Gd6 pentagonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Gd(1), two equivalent Gd(3), and two equivalent Gd(7) atoms to form distorted SGd6 pentagonal pyramids that share corners with two equivalent S(4)Gd6 pentagonal pyramids, corners with two equivalent O(2)Gd4 tetrahedra, corners with two equivalent O(3)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid,  an edgeedge with one O(2)Gd4 tetrahedra,  an edgeedge with one O(3)Gd4 tetrahedra,  an edgeedge with one F(12)Gd4 tetrahedra, edges with two equivalent F(15)Gd4 tetrahedra, edges with two equivalent F(7)Gd4 tetrahedra, and faces with two equivalent S(5)Gd6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Gd(1), two equivalent Gd(2), and two equivalent Gd(8) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Gd(2), one Gd(9), and two equivalent Gd(5) atoms to form OGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids,  a cornercorner with one F(8)Gd4 tetrahedra,  a cornercorner with one F(9)Gd4 tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid, edges with two equivalent S(4)Gd6 pentagonal pyramids, edges with two equivalent O(4)Gd4 tetrahedra, and edges with two equivalent F(11)Gd4 tetrahedra. In the second O site, O(2) is bonded to one Gd(10), one Gd(6), and two equivalent Gd(3) atoms to form OGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(10)Gd4 tetrahedra,  a cornercorner with one F(12)Gd4 tetrahedra, corners with two equivalent O(2)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent S(2)Gd6 pentagonal pyramids, edges with two equivalent F(15)Gd4 tetrahedra, and edges with two equivalent F(9)Gd4 tetrahedra. In the third O site, O(3) is bonded to one Gd(11), one Gd(4), and two equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(10)Gd4 tetrahedra,  a cornercorner with one F(11)Gd4 tetrahedra, corners with two equivalent O(3)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent F(16)Gd4 tetrahedra, and edges with two equivalent F(7)Gd4 tetrahedra. In the fourth O site, O(4) is bonded to one Gd(12), one Gd(5), and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one F(11)Gd4 tetrahedra,  a cornercorner with one F(12)Gd4 tetrahedra, corners with two equivalent O(4)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid, edges with two equivalent S(1)Gd6 pentagonal pyramids, edges with two equivalent O(1)Gd4 tetrahedra, and edges with two equivalent F(8)Gd4 tetrahedra. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Gd(7) and two equivalent Gd(12) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Gd(8) and two equivalent Gd(10) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Gd(9) and two equivalent Gd(11) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Gd(10) and two equivalent Gd(9) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Gd(11) and two equivalent Gd(7) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Gd(12) and two equivalent Gd(8) atoms. In the seventh F site, F(7) is bonded to one Gd(1), one Gd(7), and two equivalent Gd(11) atoms to form FGd4 tetrahedra that share  a cornercorner with one F(15)Gd4 tetrahedra,  a cornercorner with one F(16)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, edges with two equivalent S(5)Gd6 pentagonal pyramids, and edges with two equivalent O(3)Gd4 tetrahedra. In the eighth F site, F(8) is bonded to one Gd(2), one Gd(8), and two equivalent Gd(12) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one O(1)Gd4 tetrahedra,  a cornercorner with one F(16)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid, and edges with two equivalent O(4)Gd4 tetrahedra. In the ninth F site, F(9) is bonded to one Gd(3), one Gd(9), and two equivalent Gd(10) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one O(1)Gd4 tetrahedra,  a cornercorner with one F(15)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent S(4)Gd6 pentagonal pyramids, and edges with two equivalent O(2)Gd4 tetrahedra. In the tenth F site, F(10) is bonded to one Gd(10), one Gd(4), and two equivalent Gd(8) atoms to form FGd4 tetrahedra that share  a cornercorner with one O(2)Gd4 tetrahedra,  a cornercorner with one O(3)Gd4 tetrahedra, corners with two equivalent F(10)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra, edges with two equivalent S(2)Gd6 pentagonal pyramids, and edges with two equivalent F(16)Gd4 tetrahedra. In the eleventh F site, F(11) is bonded to one Gd(11), one Gd(5), and two equivalent Gd(9) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one O(3)Gd4 tetrahedra,  a cornercorner with one O(4)Gd4 tetrahedra, corners with two equivalent F(11)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, corners with two equivalent F(9)Gd4 tetrahedra,  an edgeedge with one S(4)Gd6 pentagonal pyramid, and edges with two equivalent O(1)Gd4 tetrahedra. In the twelfth F site, F(12) is bonded to one Gd(12), one Gd(6), and two equivalent Gd(7) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one O(2)Gd4 tetrahedra,  a cornercorner with one O(4)Gd4 tetrahedra, corners with two equivalent F(12)Gd4 tetrahedra, corners with two equivalent F(7)Gd4 tetrahedra, corners with two equivalent F(8)Gd4 tetrahedra,  an edgeedge with one S(5)Gd6 pentagonal pyramid, edges with two equivalent S(1)Gd6 pentagonal pyramids, and edges with two equivalent F(15)Gd4 tetrahedra. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Gd(4), one Gd(5), and one Gd(6) atom. In the fifteenth F site, F(15) is bonded to one Gd(3), one Gd(7), and two equivalent Gd(6) atoms to form FGd4 tetrahedra that share corners with two equivalent S(1)Gd6 pentagonal pyramids, corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(4)Gd6 pentagonal pyramids,  a cornercorner with one F(7)Gd4 tetrahedra,  a cornercorner with one F(9)Gd4 tetrahedra, corners with two equivalent F(15)Gd4 tetrahedra,  an edgeedge with one S(1)Gd6 pentagonal pyramid,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent S(5)Gd6 pentagonal pyramids, edges with two equivalent O(2)Gd4 tetrahedra, and edges with two equivalent F(12)Gd4 tetrahedra. In the sixteenth F site, F(16) is bonded to one Gd(1), one Gd(8), and two equivalent Gd(4) atoms to form FGd4 tetrahedra that share corners with two equivalent S(2)Gd6 pentagonal pyramids, corners with two equivalent S(5)Gd6 pentagonal pyramids,  a cornercorner with one F(7)Gd4 tetrahedra,  a cornercorner with one F(8)Gd4 tetrahedra, corners with two equivalent F(16)Gd4 tetrahedra,  an edgeedge with one S(2)Gd6 pentagonal pyramid, edges with two equivalent O(3)Gd4 tetrahedra, and edges with two equivalent F(10)Gd4 tetrahedra. is represented by the CIF card [CIF]
data_Gd6S3(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.790
_cell_length_b   13.409
_cell_length_c   13.407
_cell_angle_alpha   120.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.673
_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
  Gd  Gd0  1  0.750  0.611  0.474  1.0
  Gd  Gd1  1  0.750  0.527  0.129  1.0
  Gd  Gd2  1  0.750  0.862  0.386  1.0
  Gd  Gd3  1  0.250  0.399  0.538  1.0
  Gd  Gd4  1  0.250  0.475  0.874  1.0
  Gd  Gd5  1  0.250  0.141  0.604  1.0
  Gd  Gd6  1  0.750  0.943  0.718  1.0
  Gd  Gd7  1  0.750  0.283  0.225  1.0
  Gd  Gd8  1  0.750  0.764  0.053  1.0
  Gd  Gd9  1  0.250  0.054  0.290  1.0
  Gd  Gd10  1  0.250  0.708  0.764  1.0
  Gd  Gd11  1  0.250  0.236  0.942  1.0
  S  S12  1  0.750  0.273  0.802  1.0
  S  S13  1  0.750  0.197  0.474  1.0
  S  S14  1  0.750  0.527  0.718  1.0
  S  S15  1  0.250  0.723  0.194  1.0
  S  S16  1  0.250  0.812  0.532  1.0
  S  S17  1  0.250  0.468  0.282  1.0
  O  O18  1  0.750  0.567  0.980  1.0
  O  O19  1  0.250  0.983  0.418  1.0
  O  O20  1  0.250  0.583  0.564  1.0
  O  O21  1  0.250  0.432  0.020  1.0
  F  F22  1  0.750  0.103  0.902  1.0
  F  F23  1  0.750  0.098  0.202  1.0
  F  F24  1  0.750  0.797  0.894  1.0
  F  F25  1  0.250  0.897  0.098  1.0
  F  F26  1  0.250  0.903  0.801  1.0
  F  F27  1  0.250  0.199  0.101  1.0
  F  F28  1  0.750  0.752  0.682  1.0
  F  F29  1  0.750  0.317  0.069  1.0
  F  F30  1  0.750  0.931  0.249  1.0
  F  F31  1  0.250  0.254  0.323  1.0
  F  F32  1  0.250  0.680  0.928  1.0
  F  F33  1  0.250  0.067  0.745  1.0
  F  F34  1  0.750  0.666  0.333  1.0
  F  F35  1  0.250  0.336  0.670  1.0
  F  F36  1  0.750  0.021  0.588  1.0
  F  F37  1  0.750  0.410  0.433  1.0
[/CIF]
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