The compound described by Ce3GeS2 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 Ge(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ce site, Ce(2) is bonded to two equivalent Ge(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedra are not tilted. 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 Ge(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with two equivalent Ge(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(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 five equivalent Ge(1)Ce6 octahedra, and edges with seven equivalent S(1)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3GeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   146.162
_cell_angle_beta   131.815
_cell_angle_gamma   60.176
_symmetry_Int_Tables_number   1
_cell_volume   157.204
_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  0.332  0.332  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.668  0.668  0.000  1.0
  Ge  Ge3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.165  0.665  0.500  1.0
  S  S5  1  0.835  0.335  0.500  1.0
[/CIF]
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The compound described by Ce3GeS2 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 Ge(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ce site, Ce(2) is bonded to two equivalent Ge(1) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing CeGe2S4 octahedra. The corner-sharing octahedra are not tilted. 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 Ge(1)Ce6 octahedra, corners with four equivalent S(1)Ce6 octahedra, edges with two equivalent Ge(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(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 five equivalent Ge(1)Ce6 octahedra, and edges with seven equivalent S(1)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3GeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   146.162
_cell_angle_beta   131.815
_cell_angle_gamma   60.176
_symmetry_Int_Tables_number   1
_cell_volume   157.204
_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  0.332  0.332  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.668  0.668  0.000  1.0
  Ge  Ge3  1  0.500  0.000  0.500  1.0
  S  S4  1  0.165  0.665  0.500  1.0
  S  S5  1  0.835  0.335  0.500  1.0
[/CIF]
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