The material described by ErS2 crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Er(1) and one S(2) atom. In the second S site, S(1) is bonded to five equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids. is represented by the CIF card [CIF]
data_ErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   7.790
_cell_length_c   7.809
_cell_angle_alpha   89.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.677
_cell_formula_units_Z   4
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
  Er  Er0  1  0.289  0.371  0.275  1.0
  Er  Er1  1  0.789  0.129  0.725  1.0
  Er  Er2  1  0.711  0.629  0.725  1.0
  Er  Er3  1  0.211  0.871  0.275  1.0
  S  S4  1  0.262  0.374  0.631  1.0
  S  S5  1  0.762  0.126  0.369  1.0
  S  S6  1  0.738  0.626  0.369  1.0
  S  S7  1  0.238  0.874  0.631  1.0
  S  S8  1  0.839  0.389  0.004  1.0
  S  S9  1  0.339  0.111  0.996  1.0
  S  S10  1  0.161  0.611  0.996  1.0
  S  S11  1  0.661  0.889  0.004  1.0
[/CIF]
.
The material described by ErS2 crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Er(1) and one S(2) atom. In the second S site, S(1) is bonded to five equivalent Er(1) atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids. is represented by the CIF card [CIF]
data_ErS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.858
_cell_length_b   7.790
_cell_length_c   7.809
_cell_angle_alpha   89.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.677
_cell_formula_units_Z   4
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
  Er  Er0  1  0.289  0.371  0.275  1.0
  Er  Er1  1  0.789  0.129  0.725  1.0
  Er  Er2  1  0.711  0.629  0.725  1.0
  Er  Er3  1  0.211  0.871  0.275  1.0
  S  S4  1  0.262  0.374  0.631  1.0
  S  S5  1  0.762  0.126  0.369  1.0
  S  S6  1  0.738  0.626  0.369  1.0
  S  S7  1  0.238  0.874  0.631  1.0
  S  S8  1  0.839  0.389  0.004  1.0
  S  S9  1  0.339  0.111  0.996  1.0
  S  S10  1  0.161  0.611  0.996  1.0
  S  S11  1  0.661  0.889  0.004  1.0
[/CIF]
.