The structure described by Y3SOF5 crystallizes in the monoclinic Pm space group. There are six inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y(4), two equivalent Y(5), and two equivalent Y(6) atoms to form distorted SY6 pentagonal pyramids that share corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra,  an edgeedge with one O(2)Y4 tetrahedra,  an edgeedge with one F(7)Y4 tetrahedra, edges with two equivalent F(10)Y4 tetrahedra, edges with two equivalent F(8)Y4 tetrahedra, edges with two equivalent F(9)Y4 tetrahedra, and faces with two equivalent S(1)Y6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted SY6 pentagonal pyramids that share corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one F(10)Y4 tetrahedra,  an edgeedge with one F(8)Y4 tetrahedra,  an edgeedge with one F(9)Y4 tetrahedra, edges with two equivalent O(1)Y4 tetrahedra, edges with two equivalent O(2)Y4 tetrahedra, edges with two equivalent F(7)Y4 tetrahedra, and faces with two equivalent S(2)Y6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(3), and two equivalent Y(6) atoms to form OY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(2)Y4 tetrahedra,  a cornercorner with one F(7)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(8)Y4 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(2), and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one F(7)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(9)Y4 tetrahedra. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Y(1) and two equivalent Y(5) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Y(2) and two equivalent Y(6) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Y(3) and two equivalent Y(4) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Y(4) and two equivalent Y(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Y(5) and two equivalent Y(3) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Y(6) and two equivalent Y(1) atoms. In the seventh F site, F(7) is bonded to one Y(2), one Y(3), and two equivalent Y(5) atoms to form FY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(10)Y4 tetrahedra. In the eighth F site, F(8) is bonded to one Y(4), one Y(6), and two equivalent Y(3) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(10)Y4 tetrahedra,  a cornercorner with one F(9)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent O(1)Y4 tetrahedra. In the ninth F site, F(9) is bonded to one Y(4), one Y(5), and two equivalent Y(1) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(10)Y4 tetrahedra,  a cornercorner with one F(8)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent O(2)Y4 tetrahedra. In the tenth F site, F(10) is bonded to one Y(5), one Y(6), and two equivalent Y(2) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(8)Y4 tetrahedra,  a cornercorner with one F(9)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent F(7)Y4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3SOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   9.427
_cell_length_c   9.484
_cell_angle_alpha   60.482
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.080
_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
  Y  Y0  1  0.000  0.582  0.135  1.0
  Y  Y1  1  0.000  0.133  0.270  1.0
  Y  Y2  1  0.000  0.299  0.585  1.0
  Y  Y3  1  0.500  0.405  0.896  1.0
  Y  Y4  1  0.500  0.876  0.715  1.0
  Y  Y5  1  0.500  0.704  0.402  1.0
  S  S6  1  0.000  0.671  0.667  1.0
  S  S7  1  0.500  0.326  0.339  1.0
  O  O8  1  0.000  0.564  0.387  1.0
  O  O9  1  0.000  0.384  0.052  1.0
  F  F10  1  0.000  0.841  0.880  1.0
  F  F11  1  0.000  0.888  0.273  1.0
  F  F12  1  0.000  0.274  0.837  1.0
  F  F13  1  0.500  0.145  0.117  1.0
  F  F14  1  0.500  0.121  0.716  1.0
  F  F15  1  0.500  0.729  0.149  1.0
  F  F16  1  0.000  0.047  0.567  1.0
  F  F17  1  0.500  0.430  0.626  1.0
  F  F18  1  0.500  0.622  0.953  1.0
  F  F19  1  0.500  0.956  0.433  1.0
[/CIF]
.
The structure described by Y3SOF5 crystallizes in the monoclinic Pm space group. There are six inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y(4), two equivalent Y(5), and two equivalent Y(6) atoms to form distorted SY6 pentagonal pyramids that share corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra,  an edgeedge with one O(2)Y4 tetrahedra,  an edgeedge with one F(7)Y4 tetrahedra, edges with two equivalent F(10)Y4 tetrahedra, edges with two equivalent F(8)Y4 tetrahedra, edges with two equivalent F(9)Y4 tetrahedra, and faces with two equivalent S(1)Y6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Y(3) atoms to form distorted SY6 pentagonal pyramids that share corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one F(10)Y4 tetrahedra,  an edgeedge with one F(8)Y4 tetrahedra,  an edgeedge with one F(9)Y4 tetrahedra, edges with two equivalent O(1)Y4 tetrahedra, edges with two equivalent O(2)Y4 tetrahedra, edges with two equivalent F(7)Y4 tetrahedra, and faces with two equivalent S(2)Y6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(3), and two equivalent Y(6) atoms to form OY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(2)Y4 tetrahedra,  a cornercorner with one F(7)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(8)Y4 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(2), and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one F(7)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(9)Y4 tetrahedra. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Y(1) and two equivalent Y(5) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Y(2) and two equivalent Y(6) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Y(3) and two equivalent Y(4) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Y(4) and two equivalent Y(2) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Y(5) and two equivalent Y(3) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Y(6) and two equivalent Y(1) atoms. In the seventh F site, F(7) is bonded to one Y(2), one Y(3), and two equivalent Y(5) atoms to form FY4 tetrahedra that share corners with two equivalent S(1)Y6 pentagonal pyramids,  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(1)Y6 pentagonal pyramid, edges with two equivalent S(2)Y6 pentagonal pyramids, and edges with two equivalent F(10)Y4 tetrahedra. In the eighth F site, F(8) is bonded to one Y(4), one Y(6), and two equivalent Y(3) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(10)Y4 tetrahedra,  a cornercorner with one F(9)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(8)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent O(1)Y4 tetrahedra. In the ninth F site, F(9) is bonded to one Y(4), one Y(5), and two equivalent Y(1) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(10)Y4 tetrahedra,  a cornercorner with one F(8)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent F(7)Y4 tetrahedra, corners with two equivalent F(9)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent O(2)Y4 tetrahedra. In the tenth F site, F(10) is bonded to one Y(5), one Y(6), and two equivalent Y(2) atoms to form FY4 tetrahedra that share corners with two equivalent S(2)Y6 pentagonal pyramids,  a cornercorner with one F(8)Y4 tetrahedra,  a cornercorner with one F(9)Y4 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(2)Y4 tetrahedra, corners with two equivalent F(10)Y4 tetrahedra,  an edgeedge with one S(2)Y6 pentagonal pyramid, edges with two equivalent S(1)Y6 pentagonal pyramids, and edges with two equivalent F(7)Y4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3SOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   9.427
_cell_length_c   9.484
_cell_angle_alpha   60.482
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.080
_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
  Y  Y0  1  0.000  0.582  0.135  1.0
  Y  Y1  1  0.000  0.133  0.270  1.0
  Y  Y2  1  0.000  0.299  0.585  1.0
  Y  Y3  1  0.500  0.405  0.896  1.0
  Y  Y4  1  0.500  0.876  0.715  1.0
  Y  Y5  1  0.500  0.704  0.402  1.0
  S  S6  1  0.000  0.671  0.667  1.0
  S  S7  1  0.500  0.326  0.339  1.0
  O  O8  1  0.000  0.564  0.387  1.0
  O  O9  1  0.000  0.384  0.052  1.0
  F  F10  1  0.000  0.841  0.880  1.0
  F  F11  1  0.000  0.888  0.273  1.0
  F  F12  1  0.000  0.274  0.837  1.0
  F  F13  1  0.500  0.145  0.117  1.0
  F  F14  1  0.500  0.121  0.716  1.0
  F  F15  1  0.500  0.729  0.149  1.0
  F  F16  1  0.000  0.047  0.567  1.0
  F  F17  1  0.500  0.430  0.626  1.0
  F  F18  1  0.500  0.622  0.953  1.0
  F  F19  1  0.500  0.956  0.433  1.0
[/CIF]
.