data_ScUS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScUS3
_chemical_formula_sum   'Sc2 U2 S6'
_cell_volume   207.38
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.57  1.0
  U  U2  1  0.86  0.96  0.86  1.0
  U  U3  1  0.86  0.04  0.29  1.0
  S  S4  1  0.86  0.27  0.99  1.0
  S  S5  1  0.86  0.73  0.15  1.0
  S  S6  1  0.86  0.73  0.56  1.0
  S  S7  1  0.86  0.27  0.58  1.0
  S  S8  1  0.86  0.94  0.29  1.0
  S  S9  1  0.86  0.06  0.86  1.0

data_ScUS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   6.38
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScUS3
_chemical_formula_sum   'Sc2 U2 S6'
_cell_volume   207.38
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.57  1.0
  U  U2  1  0.04  0.9  0.86  1.0
  U  U3  1  0.96  0.82  0.29  1.0
  S  S4  1  0.06  0.92  0.29  1.0
  S  S5  1  0.27  0.13  0.15  1.0
  S  S6  1  0.27  0.13  0.56  1.0
  S  S7  1  0.73  0.59  0.58  1.0
  S  S8  1  0.73  0.59  0.99  1.0
  S  S9  1  0.94  0.8  0.86  1.0

Sc Sc U U S S S S S S
UScS3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one UScS3 cluster. There are two inequivalent U sites. In the first U site, U(1) is bonded in a single-bond geometry to one S(6) atom. The U(1)-S(6) bond length is 0.62 Å. In the second U site, U(2) is bonded in a single-bond geometry to one S(1), one S(4), and one S(5) atom. The U(2)-S(1) bond length is 3.08 Å. The U(2)-S(4) bond length is 3.08 Å. The U(2)-S(5) bond length is 0.62 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one S(1) and one S(2) atom. The Sc(1)-S(1) bond length is 2.53 Å. The Sc(1)-S(2) bond length is 1.78 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one S(3) and one S(4) atom. The Sc(2)-S(3) bond length is 1.12 Å. The Sc(2)-S(4) bond length is 2.53 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one U(2), one Sc(1), and one S(6) atom. The S(1)-S(6) bond length is 1.83 Å. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Sc(1) atom. In the third S site, S(3) is bonded in a single-bond geometry to one Sc(2) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one U(2) and one Sc(2) atom. In the fifth S site, S(5) is bonded in a single-bond geometry to one U(2) atom. In the sixth S site, S(6) is bonded in a single-bond geometry to one U(1) and one S(1) atom.