The material described by U5SiS4 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one Si(1) and five equivalent S(1) atoms to form USiS5 octahedra that share  a cornercorner with one U(2)Si2S4 octahedra; corners with five U(1,1)SiS5 octahedra; edges with three equivalent U(2)Si2S4 octahedra; and edges with nine U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second U site, U(2) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form USi2S4 octahedra that share corners with two equivalent U(2)Si2S4 octahedra; corners with four U(1,1)SiS5 octahedra; and edges with twelve U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third U site, U(1) is bonded to one Si(1) and five equivalent S(1) atoms to form USiS5 octahedra that share  a cornercorner with one U(2)Si2S4 octahedra; corners with five U(1,1)SiS5 octahedra; edges with three equivalent U(2)Si2S4 octahedra; and edges with nine U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Si(1) is bonded to two equivalent U(2) and four U(1,1) atoms to form SiU6 octahedra that share corners with two equivalent Si(1)U6 octahedra, corners with four equivalent S(1)U6 octahedra, and edges with twelve equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to one U(2) and five U(1,1) atoms to form SU6 octahedra that share  a cornercorner with one Si(1)U6 octahedra, corners with five equivalent S(1)U6 octahedra, edges with three equivalent Si(1)U6 octahedra, and edges with nine equivalent S(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   6.760
_cell_angle_alpha   99.586
_cell_angle_beta   99.586
_cell_angle_gamma   131.832
_symmetry_Int_Tables_number   1
_cell_volume   210.104
_cell_formula_units_Z   1
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  0.399  0.804  0.203  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  U  U2  1  0.601  0.196  0.797  1.0
  U  U3  1  0.196  0.399  0.594  1.0
  U  U4  1  0.804  0.601  0.406  1.0
  Si  Si5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.102  0.701  0.803  1.0
  S  S7  1  0.701  0.898  0.598  1.0
  S  S8  1  0.299  0.102  0.402  1.0
  S  S9  1  0.898  0.299  0.197  1.0
[/CIF]
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The material described by U5SiS4 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one Si(1) and five equivalent S(1) atoms to form USiS5 octahedra that share  a cornercorner with one U(2)Si2S4 octahedra; corners with five U(1,1)SiS5 octahedra; edges with three equivalent U(2)Si2S4 octahedra; and edges with nine U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second U site, U(2) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form USi2S4 octahedra that share corners with two equivalent U(2)Si2S4 octahedra; corners with four U(1,1)SiS5 octahedra; and edges with twelve U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third U site, U(1) is bonded to one Si(1) and five equivalent S(1) atoms to form USiS5 octahedra that share  a cornercorner with one U(2)Si2S4 octahedra; corners with five U(1,1)SiS5 octahedra; edges with three equivalent U(2)Si2S4 octahedra; and edges with nine U(1,1)SiS5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Si(1) is bonded to two equivalent U(2) and four U(1,1) atoms to form SiU6 octahedra that share corners with two equivalent Si(1)U6 octahedra, corners with four equivalent S(1)U6 octahedra, and edges with twelve equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to one U(2) and five U(1,1) atoms to form SU6 octahedra that share  a cornercorner with one Si(1)U6 octahedra, corners with five equivalent S(1)U6 octahedra, edges with three equivalent Si(1)U6 octahedra, and edges with nine equivalent S(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5SiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.760
_cell_length_b   6.760
_cell_length_c   6.760
_cell_angle_alpha   99.586
_cell_angle_beta   99.586
_cell_angle_gamma   131.832
_symmetry_Int_Tables_number   1
_cell_volume   210.104
_cell_formula_units_Z   1
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  0.399  0.804  0.203  1.0
  U  U1  1  0.000  0.000  0.000  1.0
  U  U2  1  0.601  0.196  0.797  1.0
  U  U3  1  0.196  0.399  0.594  1.0
  U  U4  1  0.804  0.601  0.406  1.0
  Si  Si5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.102  0.701  0.803  1.0
  S  S7  1  0.701  0.898  0.598  1.0
  S  S8  1  0.299  0.102  0.402  1.0
  S  S9  1  0.898  0.299  0.197  1.0
[/CIF]
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