The compound described by Tl3S2O9 crystallizes in the monoclinic Cc space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one O(9) atom. In the third Tl site, Tl(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(9) atoms to form TlO6 octahedra that share corners with two equivalent Tl(3)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Tl(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the second S site, S(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Tl(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one S(1) atom. In the second O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(3), and one S(2) atom. In the third O site, O(9) is bonded in a distorted trigonal planar geometry to one Tl(2) and two equivalent Tl(3) atoms. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(3), and one S(2) atom. In the sixth O site, O(3) is bonded in a single-bond geometry to one Tl(1) and one S(2) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one Tl(1), one Tl(3), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Tl(3) and one S(1) atom. In the ninth O site, O(6) is bonded in a single-bond geometry to one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl3S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.746
_cell_length_b   9.746
_cell_length_c   7.172
_cell_angle_alpha   77.334
_cell_angle_beta   77.334
_cell_angle_gamma   129.901
_symmetry_Int_Tables_number   1
_cell_volume   447.057
_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
  Tl  Tl0  1  0.112  0.858  0.738  1.0
  Tl  Tl1  1  0.858  0.112  0.238  1.0
  Tl  Tl2  1  0.718  0.301  0.726  1.0
  Tl  Tl3  1  0.301  0.718  0.226  1.0
  Tl  Tl4  1  0.490  0.488  0.501  1.0
  Tl  Tl5  1  0.488  0.490  0.001  1.0
  S  S6  1  0.909  0.060  0.744  1.0
  S  S7  1  0.060  0.909  0.244  1.0
  S  S8  1  0.313  0.666  0.741  1.0
  S  S9  1  0.666  0.313  0.241  1.0
  O  O10  1  0.935  0.181  0.542  1.0
  O  O11  1  0.181  0.935  0.042  1.0
  O  O12  1  0.486  0.732  0.554  1.0
  O  O13  1  0.732  0.486  0.054  1.0
  O  O14  1  0.386  0.846  0.767  1.0
  O  O15  1  0.846  0.386  0.267  1.0
  O  O16  1  0.815  0.859  0.761  1.0
  O  O17  1  0.859  0.815  0.261  1.0
  O  O18  1  0.106  0.168  0.743  1.0
  O  O19  1  0.168  0.106  0.243  1.0
  O  O20  1  0.137  0.573  0.701  1.0
  O  O21  1  0.573  0.137  0.201  1.0
  O  O22  1  0.771  0.031  0.933  1.0
  O  O23  1  0.031  0.771  0.433  1.0
  O  O24  1  0.252  0.509  0.945  1.0
  O  O25  1  0.509  0.252  0.445  1.0
  O  O26  1  0.539  0.427  0.755  1.0
  O  O27  1  0.427  0.539  0.255  1.0
[/CIF]
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The compound described by Tl3S2O9 crystallizes in the monoclinic Cc space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one O(9) atom. In the third Tl site, Tl(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(9) atoms to form TlO6 octahedra that share corners with two equivalent Tl(3)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Tl(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the second S site, S(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Tl(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one S(1) atom. In the second O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(3), and one S(2) atom. In the third O site, O(9) is bonded in a distorted trigonal planar geometry to one Tl(2) and two equivalent Tl(3) atoms. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(3), and one S(2) atom. In the sixth O site, O(3) is bonded in a single-bond geometry to one Tl(1) and one S(2) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one Tl(1), one Tl(3), and one S(1) atom. In the eighth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Tl(3) and one S(1) atom. In the ninth O site, O(6) is bonded in a single-bond geometry to one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl3S2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.746
_cell_length_b   9.746
_cell_length_c   7.172
_cell_angle_alpha   77.334
_cell_angle_beta   77.334
_cell_angle_gamma   129.901
_symmetry_Int_Tables_number   1
_cell_volume   447.057
_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
  Tl  Tl0  1  0.112  0.858  0.738  1.0
  Tl  Tl1  1  0.858  0.112  0.238  1.0
  Tl  Tl2  1  0.718  0.301  0.726  1.0
  Tl  Tl3  1  0.301  0.718  0.226  1.0
  Tl  Tl4  1  0.490  0.488  0.501  1.0
  Tl  Tl5  1  0.488  0.490  0.001  1.0
  S  S6  1  0.909  0.060  0.744  1.0
  S  S7  1  0.060  0.909  0.244  1.0
  S  S8  1  0.313  0.666  0.741  1.0
  S  S9  1  0.666  0.313  0.241  1.0
  O  O10  1  0.935  0.181  0.542  1.0
  O  O11  1  0.181  0.935  0.042  1.0
  O  O12  1  0.486  0.732  0.554  1.0
  O  O13  1  0.732  0.486  0.054  1.0
  O  O14  1  0.386  0.846  0.767  1.0
  O  O15  1  0.846  0.386  0.267  1.0
  O  O16  1  0.815  0.859  0.761  1.0
  O  O17  1  0.859  0.815  0.261  1.0
  O  O18  1  0.106  0.168  0.743  1.0
  O  O19  1  0.168  0.106  0.243  1.0
  O  O20  1  0.137  0.573  0.701  1.0
  O  O21  1  0.573  0.137  0.201  1.0
  O  O22  1  0.771  0.031  0.933  1.0
  O  O23  1  0.031  0.771  0.433  1.0
  O  O24  1  0.252  0.509  0.945  1.0
  O  O25  1  0.509  0.252  0.445  1.0
  O  O26  1  0.539  0.427  0.755  1.0
  O  O27  1  0.427  0.539  0.255  1.0
[/CIF]
.