The material described by KGdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent S(1) atoms to form distorted KS6 octahedra that share corners with six equivalent Gd(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with six equivalent K(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent K(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SK3Gd3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KGdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   7.698
_cell_angle_alpha   74.593
_cell_angle_beta   74.593
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   106.161
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.235  0.235  0.296  1.0
  S  S3  1  0.765  0.765  0.704  1.0
[/CIF]
.
The material described by KGdS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent S(1) atoms to form distorted KS6 octahedra that share corners with six equivalent Gd(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with six equivalent K(1)S6 octahedra, edges with six equivalent K(1)S6 octahedra, and edges with six equivalent Gd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to three equivalent K(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing SK3Gd3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KGdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   7.698
_cell_angle_alpha   74.593
_cell_angle_beta   74.593
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   106.161
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.235  0.235  0.296  1.0
  S  S3  1  0.765  0.765  0.704  1.0
[/CIF]
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