The crystal structure described by USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent S(1) atoms. Si(1) is bonded to four equivalent U(1) and four equivalent Si(1) atoms to form distorted SiU4Si4 hexagonal bipyramids that share corners with four equivalent Si(1)U4Si4 hexagonal bipyramids, corners with twelve equivalent S(1)U5 square pyramids, edges with four equivalent Si(1)U4Si4 hexagonal bipyramids, edges with four equivalent S(1)U5 square pyramids, and faces with four equivalent Si(1)U4Si4 hexagonal bipyramids. S(1) is bonded to five equivalent U(1) atoms to form SU5 square pyramids that share corners with twelve equivalent Si(1)U4Si4 hexagonal bipyramids, corners with four equivalent S(1)U5 square pyramids, edges with four equivalent Si(1)U4Si4 hexagonal bipyramids, and edges with eight equivalent S(1)U5 square pyramids. is represented by the CIF file [CIF]
data_USiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.763
_cell_length_b   3.763
_cell_length_c   8.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.333
_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  0.000  0.500  0.294  1.0
  U  U1  1  0.500  0.000  0.706  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.000  0.500  0.645  1.0
  S  S5  1  0.500  0.000  0.355  1.0
[/CIF]
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The crystal structure described by USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. U(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent S(1) atoms. Si(1) is bonded to four equivalent U(1) and four equivalent Si(1) atoms to form distorted SiU4Si4 hexagonal bipyramids that share corners with four equivalent Si(1)U4Si4 hexagonal bipyramids, corners with twelve equivalent S(1)U5 square pyramids, edges with four equivalent Si(1)U4Si4 hexagonal bipyramids, edges with four equivalent S(1)U5 square pyramids, and faces with four equivalent Si(1)U4Si4 hexagonal bipyramids. S(1) is bonded to five equivalent U(1) atoms to form SU5 square pyramids that share corners with twelve equivalent Si(1)U4Si4 hexagonal bipyramids, corners with four equivalent S(1)U5 square pyramids, edges with four equivalent Si(1)U4Si4 hexagonal bipyramids, and edges with eight equivalent S(1)U5 square pyramids. is represented by the CIF file [CIF]
data_USiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.763
_cell_length_b   3.763
_cell_length_c   8.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.333
_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  0.000  0.500  0.294  1.0
  U  U1  1  0.500  0.000  0.706  1.0
  Si  Si2  1  0.000  0.000  0.000  1.0
  Si  Si3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.000  0.500  0.645  1.0
  S  S5  1  0.500  0.000  0.355  1.0
[/CIF]
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