The crystal structure described by YScS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to six equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Sc(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. S(1) is bonded to three equivalent Y(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing SY3Sc3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_YScS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.585
_cell_length_c   6.585
_cell_angle_alpha   33.546
_cell_angle_beta   33.546
_cell_angle_gamma   33.546
_symmetry_Int_Tables_number   1
_cell_volume   77.678
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.255  0.255  0.255  1.0
  S  S3  1  0.745  0.745  0.745  1.0
[/CIF]
.
The crystal structure described by YScS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Y(1) is bonded to six equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Sc(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Y(1)S6 octahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. S(1) is bonded to three equivalent Y(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing SY3Sc3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_YScS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.585
_cell_length_c   6.585
_cell_angle_alpha   33.546
_cell_angle_beta   33.546
_cell_angle_gamma   33.546
_symmetry_Int_Tables_number   1
_cell_volume   77.678
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.255  0.255  0.255  1.0
  S  S3  1  0.745  0.745  0.745  1.0
[/CIF]
.