The material structure described by CsErS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Er(1) is bonded to six equivalent S(1) atoms to form edge-sharing ErS6 octahedra. S(1) is bonded to three equivalent Cs(1) and three equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   8.386
_cell_angle_alpha   27.887
_cell_angle_beta   27.887
_cell_angle_gamma   27.887
_symmetry_Int_Tables_number   1
_cell_volume   113.953
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.227  0.227  0.227  1.0
  S  S3  1  0.773  0.773  0.773  1.0
[/CIF]
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The material structure described by CsErS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Er(1) is bonded to six equivalent S(1) atoms to form edge-sharing ErS6 octahedra. S(1) is bonded to three equivalent Cs(1) and three equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   8.386
_cell_angle_alpha   27.887
_cell_angle_beta   27.887
_cell_angle_gamma   27.887
_symmetry_Int_Tables_number   1
_cell_volume   113.953
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Er  Er1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.227  0.227  0.227  1.0
  S  S3  1  0.773  0.773  0.773  1.0
[/CIF]
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