The compound described by Ce3SiS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeSi2S4 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeSi2S4 octahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SiCe6 octahedra that share corners with two equivalent Si(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with two equivalent Si(1)Ce6 octahedra, and edges with ten equivalent S(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SCe6 octahedra that share corners with two equivalent Si(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with five equivalent Si(1)Ce6 octahedra, and edges with seven equivalent S(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3SiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   7.254
_cell_angle_alpha   146.286
_cell_angle_beta   131.927
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   156.164
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.666  0.666  0.000  1.0
  Ce  Ce2  1  0.334  0.334  0.000  1.0
  Si  Si3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.166  0.666  0.500  1.0
  S  S5  1  0.834  0.334  0.500  1.0
[/CIF]
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The compound described by Ce3SiS2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeSi2S4 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded to two equivalent Si(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeSi2S4 octahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SiCe6 octahedra that share corners with two equivalent Si(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with two equivalent Si(1)Ce6 octahedra, and edges with ten equivalent S(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SCe6 octahedra that share corners with two equivalent Si(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with five equivalent Si(1)Ce6 octahedra, and edges with seven equivalent S(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3SiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.254
_cell_length_b   7.254
_cell_length_c   7.254
_cell_angle_alpha   146.286
_cell_angle_beta   131.927
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   156.164
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.666  0.666  0.000  1.0
  Ce  Ce2  1  0.334  0.334  0.000  1.0
  Si  Si3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.166  0.666  0.500  1.0
  S  S5  1  0.834  0.334  0.500  1.0
[/CIF]
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