The material described by Ce4GeS3 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Ge(1), two equivalent S(1), and two equivalent S(2) atoms to form CeGe2S4 octahedra that share corners with six equivalent Ce(1)Ge2S4 octahedra, edges with four equivalent Ce(1)Ge2S4 octahedra, and edges with eight equivalent Ce(2)GeS5 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded to one Ge(1), one S(1), and four equivalent S(2) atoms to form CeGeS5 octahedra that share corners with six equivalent Ce(2)GeS5 octahedra, edges with four equivalent Ce(2)GeS5 octahedra, and edges with eight equivalent Ce(1)Ge2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ge(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form GeCe6 octahedra that share corners with two equivalent S(1)Ce6 octahedra, corners with four equivalent Ge(1)Ce6 octahedra, edges with four equivalent S(1)Ce6 octahedra, and edges with eight equivalent S(2)Ce6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form SCe6 octahedra that share corners with two equivalent Ge(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with four equivalent Ge(1)Ce6 octahedra, and edges with eight equivalent S(2)Ce6 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SCe6 octahedra that share corners with six equivalent S(2)Ce6 octahedra, edges with four equivalent Ge(1)Ce6 octahedra, edges with four equivalent S(1)Ce6 octahedra, and edges with four equivalent S(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Ce4GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   7.238
_cell_length_c   7.238
_cell_angle_alpha   131.843
_cell_angle_beta   131.843
_cell_angle_gamma   70.477
_symmetry_Int_Tables_number   1
_cell_volume   206.173
_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  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.500  1.0
  Ce  Ce2  1  0.251  0.251  0.000  1.0
  Ce  Ce3  1  0.749  0.749  0.000  1.0
  Ge  Ge4  1  1.000  1.000  0.000  1.0
  S  S5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.750  0.250  0.500  1.0
  S  S7  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by Ce4GeS3 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Ge(1), two equivalent S(1), and two equivalent S(2) atoms to form CeGe2S4 octahedra that share corners with six equivalent Ce(1)Ge2S4 octahedra, edges with four equivalent Ce(1)Ge2S4 octahedra, and edges with eight equivalent Ce(2)GeS5 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded to one Ge(1), one S(1), and four equivalent S(2) atoms to form CeGeS5 octahedra that share corners with six equivalent Ce(2)GeS5 octahedra, edges with four equivalent Ce(2)GeS5 octahedra, and edges with eight equivalent Ce(1)Ge2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ge(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form GeCe6 octahedra that share corners with two equivalent S(1)Ce6 octahedra, corners with four equivalent Ge(1)Ce6 octahedra, edges with four equivalent S(1)Ce6 octahedra, and edges with eight equivalent S(2)Ce6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ce(2) and four equivalent Ce(1) atoms to form SCe6 octahedra that share corners with two equivalent Ge(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with four equivalent Ge(1)Ce6 octahedra, and edges with eight equivalent S(2)Ce6 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form SCe6 octahedra that share corners with six equivalent S(2)Ce6 octahedra, edges with four equivalent Ge(1)Ce6 octahedra, edges with four equivalent S(1)Ce6 octahedra, and edges with four equivalent S(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Ce4GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   7.238
_cell_length_c   7.238
_cell_angle_alpha   131.843
_cell_angle_beta   131.843
_cell_angle_gamma   70.477
_symmetry_Int_Tables_number   1
_cell_volume   206.173
_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  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.000  0.500  1.0
  Ce  Ce2  1  0.251  0.251  0.000  1.0
  Ce  Ce3  1  0.749  0.749  0.000  1.0
  Ge  Ge4  1  1.000  1.000  0.000  1.0
  S  S5  1  0.500  0.500  0.000  1.0
  S  S6  1  0.750  0.250  0.500  1.0
  S  S7  1  0.250  0.750  0.500  1.0
[/CIF]
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