The crystal structure described by U3S3O16 crystallizes in the tetragonal I4/m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one U(2) and one S(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one U(1) and one S(2) atom. In the third O site, O(4) is bonded in a distorted bent 150 degrees geometry to one U(2) and one S(2) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one U(2) and one S(2) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3S3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.118
_cell_length_b   9.118
_cell_length_c   9.118
_cell_angle_alpha   108.559
_cell_angle_beta   108.559
_cell_angle_gamma   111.311
_symmetry_Int_Tables_number   1
_cell_volume   583.159
_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
  U  U0  1  0.251  0.251  0.000  1.0
  U  U1  1  0.749  0.749  0.000  1.0
  U  U2  1  0.035  0.757  0.792  1.0
  U  U3  1  0.965  0.243  0.208  1.0
  U  U4  1  0.757  0.965  0.722  1.0
  U  U5  1  0.243  0.035  0.278  1.0
  S  S6  1  0.750  0.250  0.500  1.0
  S  S7  1  0.250  0.750  0.500  1.0
  S  S8  1  0.375  0.720  0.096  1.0
  S  S9  1  0.625  0.280  0.904  1.0
  S  S10  1  0.720  0.625  0.345  1.0
  S  S11  1  0.280  0.375  0.655  1.0
  O  O12  1  0.263  0.025  0.038  1.0
  O  O13  1  0.988  0.225  0.962  1.0
  O  O14  1  0.025  0.988  0.762  1.0
  O  O15  1  0.225  0.263  0.238  1.0
  O  O16  1  0.737  0.975  0.962  1.0
  O  O17  1  0.012  0.775  0.038  1.0
  O  O18  1  0.975  0.012  0.238  1.0
  O  O19  1  0.775  0.737  0.762  1.0
  O  O20  1  0.219  0.774  0.655  1.0
  O  O21  1  0.119  0.565  0.345  1.0
  O  O22  1  0.774  0.119  0.555  1.0
  O  O23  1  0.565  0.219  0.445  1.0
  O  O24  1  0.781  0.226  0.345  1.0
  O  O25  1  0.881  0.435  0.655  1.0
  O  O26  1  0.226  0.881  0.445  1.0
  O  O27  1  0.435  0.781  0.555  1.0
  O  O28  1  0.556  0.789  0.109  1.0
  O  O29  1  0.680  0.447  0.891  1.0
  O  O30  1  0.789  0.680  0.233  1.0
  O  O31  1  0.447  0.556  0.767  1.0
  O  O32  1  0.444  0.211  0.891  1.0
  O  O33  1  0.320  0.553  0.109  1.0
  O  O34  1  0.211  0.320  0.767  1.0
  O  O35  1  0.553  0.444  0.233  1.0
  O  O36  1  0.242  0.681  0.923  1.0
  O  O37  1  0.758  0.319  0.077  1.0
  O  O38  1  0.681  0.758  0.439  1.0
  O  O39  1  0.319  0.242  0.561  1.0
  O  O40  1  0.385  0.858  0.243  1.0
  O  O41  1  0.615  0.142  0.757  1.0
  O  O42  1  0.858  0.615  0.474  1.0
  O  O43  1  0.142  0.385  0.526  1.0
[/CIF]
.
The crystal structure described by U3S3O16 crystallizes in the tetragonal I4/m space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one U(2) and one S(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one U(1) and one S(2) atom. In the third O site, O(4) is bonded in a distorted bent 150 degrees geometry to one U(2) and one S(2) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one U(2) and one S(2) atom. In the fifth O site, O(1) is bonded in a trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3S3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.118
_cell_length_b   9.118
_cell_length_c   9.118
_cell_angle_alpha   108.559
_cell_angle_beta   108.559
_cell_angle_gamma   111.311
_symmetry_Int_Tables_number   1
_cell_volume   583.159
_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
  U  U0  1  0.251  0.251  0.000  1.0
  U  U1  1  0.749  0.749  0.000  1.0
  U  U2  1  0.035  0.757  0.792  1.0
  U  U3  1  0.965  0.243  0.208  1.0
  U  U4  1  0.757  0.965  0.722  1.0
  U  U5  1  0.243  0.035  0.278  1.0
  S  S6  1  0.750  0.250  0.500  1.0
  S  S7  1  0.250  0.750  0.500  1.0
  S  S8  1  0.375  0.720  0.096  1.0
  S  S9  1  0.625  0.280  0.904  1.0
  S  S10  1  0.720  0.625  0.345  1.0
  S  S11  1  0.280  0.375  0.655  1.0
  O  O12  1  0.263  0.025  0.038  1.0
  O  O13  1  0.988  0.225  0.962  1.0
  O  O14  1  0.025  0.988  0.762  1.0
  O  O15  1  0.225  0.263  0.238  1.0
  O  O16  1  0.737  0.975  0.962  1.0
  O  O17  1  0.012  0.775  0.038  1.0
  O  O18  1  0.975  0.012  0.238  1.0
  O  O19  1  0.775  0.737  0.762  1.0
  O  O20  1  0.219  0.774  0.655  1.0
  O  O21  1  0.119  0.565  0.345  1.0
  O  O22  1  0.774  0.119  0.555  1.0
  O  O23  1  0.565  0.219  0.445  1.0
  O  O24  1  0.781  0.226  0.345  1.0
  O  O25  1  0.881  0.435  0.655  1.0
  O  O26  1  0.226  0.881  0.445  1.0
  O  O27  1  0.435  0.781  0.555  1.0
  O  O28  1  0.556  0.789  0.109  1.0
  O  O29  1  0.680  0.447  0.891  1.0
  O  O30  1  0.789  0.680  0.233  1.0
  O  O31  1  0.447  0.556  0.767  1.0
  O  O32  1  0.444  0.211  0.891  1.0
  O  O33  1  0.320  0.553  0.109  1.0
  O  O34  1  0.211  0.320  0.767  1.0
  O  O35  1  0.553  0.444  0.233  1.0
  O  O36  1  0.242  0.681  0.923  1.0
  O  O37  1  0.758  0.319  0.077  1.0
  O  O38  1  0.681  0.758  0.439  1.0
  O  O39  1  0.319  0.242  0.561  1.0
  O  O40  1  0.385  0.858  0.243  1.0
  O  O41  1  0.615  0.142  0.757  1.0
  O  O42  1  0.858  0.615  0.474  1.0
  O  O43  1  0.142  0.385  0.526  1.0
[/CIF]
.