The material described by ErLaS3 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(3), two equivalent S(11), and three equivalent S(8) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Er site, Er(2) is bonded to one S(2), one S(3), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the third Er site, Er(3) is bonded to one S(4), one S(7), two equivalent S(12), and three equivalent S(1) atoms to form a mixture of distorted edge, corner, and face-sharing ErS7 pentagonal bipyramids. In the fourth Er site, Er(4) is bonded to one S(5), one S(6), two equivalent S(12), and three equivalent S(4) atoms to form a mixture of distorted edge, corner, and face-sharing ErS7 pentagonal bipyramids. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(11), one S(12), two equivalent S(3), two equivalent S(5), and two equivalent S(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(10), one S(4), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(10), one S(11), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one S(11), two equivalent S(2), two equivalent S(8), and three equivalent S(9) atoms. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Er(3) and two equivalent La(2) atoms to form distorted SLa2Er3 trigonal bipyramids that share corners with four equivalent S(7)La4Er square pyramids, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(12)LaEr4 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(6)La4Er trigonal bipyramid,  an edgeedge with one S(12)LaEr4 trigonal bipyramid, edges with four equivalent S(1)La2Er3 trigonal bipyramids, and  a faceface with one S(7)La4Er square pyramid. In the second S site, S(2) is bonded to one Er(2), two equivalent La(3), and two equivalent La(4) atoms to form distorted SLa4Er square pyramids that share corners with two equivalent S(8)La2Er3 square pyramids,  a cornercorner with one S(3)La2Er2 tetrahedra, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(6)La4Er trigonal bipyramids,  an edgeedge with one S(8)La2Er3 square pyramid, edges with two equivalent S(2)La4Er square pyramids,  an edgeedge with one S(5)La4Er trigonal bipyramid,  an edgeedge with one S(6)La4Er trigonal bipyramid, edges with three equivalent S(9)La3Er2 trigonal bipyramids, and edges with two equivalent S(10)La2Er2 trigonal pyramids. In the third S site, S(3) is bonded to one Er(1), one Er(2), and two equivalent La(1) atoms to form SLa2Er2 tetrahedra that share  a cornercorner with one S(2)La4Er square pyramid, corners with two equivalent S(7)La4Er square pyramids, corners with three equivalent S(8)La2Er3 square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(12)LaEr4 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(7)La4Er square pyramid, and  an edgeedge with one S(5)La4Er trigonal bipyramid. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Er(3), three equivalent Er(4), and one La(2) atom. In the fifth S site, S(5) is bonded to one Er(4), two equivalent La(1), and two equivalent La(3) atoms to form SLa4Er trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(2)La4Er square pyramid,  an edgeedge with one S(7)La4Er square pyramid,  an edgeedge with one S(3)La2Er2 tetrahedra, edges with two equivalent S(5)La4Er trigonal bipyramids, edges with two equivalent S(12)LaEr4 trigonal bipyramids, and  a faceface with one S(6)La4Er trigonal bipyramid. In the sixth S site, S(6) is bonded to one Er(4), two equivalent La(2), and two equivalent La(3) atoms to form distorted SLa4Er trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(12)LaEr4 trigonal bipyramids,  an edgeedge with one S(2)La4Er square pyramid,  an edgeedge with one S(7)La4Er square pyramid,  an edgeedge with one S(1)La2Er3 trigonal bipyramid, edges with two equivalent S(6)La4Er trigonal bipyramids, edges with two equivalent S(10)La2Er2 trigonal pyramids, and  a faceface with one S(5)La4Er trigonal bipyramid. In the seventh S site, S(7) is bonded to one Er(3), two equivalent La(1), and two equivalent La(2) atoms to form distorted SLa4Er square pyramids that share corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids, edges with two equivalent S(7)La4Er square pyramids,  an edgeedge with one S(3)La2Er2 tetrahedra,  an edgeedge with one S(5)La4Er trigonal bipyramid,  an edgeedge with one S(6)La4Er trigonal bipyramid, edges with two equivalent S(12)LaEr4 trigonal bipyramids, and  a faceface with one S(1)La2Er3 trigonal bipyramid. In the eighth S site, S(8) is bonded to three equivalent Er(1) and two equivalent La(4) atoms to form SLa2Er3 square pyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with three equivalent S(3)La2Er2 tetrahedra, corners with four equivalent S(9)La3Er2 trigonal bipyramids,  an edgeedge with one S(2)La4Er square pyramid, edges with four equivalent S(8)La2Er3 square pyramids, and  an edgeedge with one S(9)La3Er2 trigonal bipyramid. In the ninth S site, S(9) is bonded to two equivalent Er(2) and three equivalent La(4) atoms to form distorted SLa3Er2 trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with four equivalent S(8)La2Er3 square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(8)La2Er3 square pyramid, edges with three equivalent S(2)La4Er square pyramids, edges with four equivalent S(9)La3Er2 trigonal bipyramids, and  an edgeedge with one S(10)La2Er2 trigonal pyramid. In the tenth S site, S(10) is bonded to two equivalent Er(2), one La(2), and one La(3) atom to form distorted SLa2Er2 trigonal pyramids that share corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids, edges with two equivalent S(2)La4Er square pyramids,  an edgeedge with one S(9)La3Er2 trigonal bipyramid, and edges with two equivalent S(6)La4Er trigonal bipyramids. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent Er(1), one La(1), one La(3), and one La(4) atom. In the twelfth S site, S(12) is bonded to two equivalent Er(3), two equivalent Er(4), and one La(1) atom to form distorted SLaEr4 trigonal bipyramids that share corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(1)La2Er3 trigonal bipyramids, edges with two equivalent S(7)La4Er square pyramids,  an edgeedge with one S(1)La2Er3 trigonal bipyramid, edges with two equivalent S(5)La4Er trigonal bipyramids, and edges with two equivalent S(12)LaEr4 trigonal bipyramids. is represented by the CIF file [CIF]
data_LaErS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.002
_cell_length_b   11.076
_cell_length_c   21.610
_cell_angle_alpha   78.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   939.227
_cell_formula_units_Z   8
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
  La  La0  1  0.250  0.301  0.766  1.0
  La  La1  1  0.750  0.699  0.234  1.0
  La  La2  1  0.250  0.908  0.865  1.0
  La  La3  1  0.750  0.092  0.135  1.0
  La  La4  1  0.250  0.690  0.734  1.0
  La  La5  1  0.750  0.310  0.266  1.0
  La  La6  1  0.250  0.800  0.536  1.0
  La  La7  1  0.750  0.200  0.464  1.0
  Er  Er8  1  0.250  0.553  0.417  1.0
  Er  Er9  1  0.750  0.447  0.583  1.0
  Er  Er10  1  0.250  0.972  0.350  1.0
  Er  Er11  1  0.750  0.028  0.650  1.0
  Er  Er12  1  0.250  0.819  0.047  1.0
  Er  Er13  1  0.750  0.181  0.953  1.0
  Er  Er14  1  0.250  0.478  0.087  1.0
  Er  Er15  1  0.750  0.522  0.913  1.0
  S  S16  1  0.250  0.087  0.035  1.0
  S  S17  1  0.750  0.913  0.965  1.0
  S  S18  1  0.250  0.205  0.365  1.0
  S  S19  1  0.750  0.795  0.635  1.0
  S  S20  1  0.250  0.746  0.325  1.0
  S  S21  1  0.750  0.254  0.675  1.0
  S  S22  1  0.250  0.634  0.965  1.0
  S  S23  1  0.750  0.366  0.035  1.0
  S  S24  1  0.250  0.508  0.220  1.0
  S  S25  1  0.750  0.492  0.780  1.0
  S  S26  1  0.250  0.253  0.172  1.0
  S  S27  1  0.750  0.747  0.828  1.0
  S  S28  1  0.250  0.875  0.162  1.0
  S  S29  1  0.750  0.125  0.838  1.0
  S  S30  1  0.250  0.358  0.514  1.0
  S  S31  1  0.750  0.642  0.486  1.0
  S  S32  1  0.250  0.057  0.557  1.0
  S  S33  1  0.750  0.943  0.443  1.0
  S  S34  1  0.250  0.964  0.730  1.0
  S  S35  1  0.750  0.036  0.270  1.0
  S  S36  1  0.250  0.544  0.634  1.0
  S  S37  1  0.750  0.456  0.366  1.0
  S  S38  1  0.250  0.343  0.902  1.0
  S  S39  1  0.750  0.657  0.098  1.0
[/CIF]
.
The material described by ErLaS3 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded to one S(3), two equivalent S(11), and three equivalent S(8) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Er site, Er(2) is bonded to one S(2), one S(3), two equivalent S(10), and two equivalent S(9) atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the third Er site, Er(3) is bonded to one S(4), one S(7), two equivalent S(12), and three equivalent S(1) atoms to form a mixture of distorted edge, corner, and face-sharing ErS7 pentagonal bipyramids. In the fourth Er site, Er(4) is bonded to one S(5), one S(6), two equivalent S(12), and three equivalent S(4) atoms to form a mixture of distorted edge, corner, and face-sharing ErS7 pentagonal bipyramids. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(11), one S(12), two equivalent S(3), two equivalent S(5), and two equivalent S(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(10), one S(4), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(10), one S(11), two equivalent S(2), two equivalent S(5), and two equivalent S(6) atoms. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one S(11), two equivalent S(2), two equivalent S(8), and three equivalent S(9) atoms. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Er(3) and two equivalent La(2) atoms to form distorted SLa2Er3 trigonal bipyramids that share corners with four equivalent S(7)La4Er square pyramids, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(12)LaEr4 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(6)La4Er trigonal bipyramid,  an edgeedge with one S(12)LaEr4 trigonal bipyramid, edges with four equivalent S(1)La2Er3 trigonal bipyramids, and  a faceface with one S(7)La4Er square pyramid. In the second S site, S(2) is bonded to one Er(2), two equivalent La(3), and two equivalent La(4) atoms to form distorted SLa4Er square pyramids that share corners with two equivalent S(8)La2Er3 square pyramids,  a cornercorner with one S(3)La2Er2 tetrahedra, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(6)La4Er trigonal bipyramids,  an edgeedge with one S(8)La2Er3 square pyramid, edges with two equivalent S(2)La4Er square pyramids,  an edgeedge with one S(5)La4Er trigonal bipyramid,  an edgeedge with one S(6)La4Er trigonal bipyramid, edges with three equivalent S(9)La3Er2 trigonal bipyramids, and edges with two equivalent S(10)La2Er2 trigonal pyramids. In the third S site, S(3) is bonded to one Er(1), one Er(2), and two equivalent La(1) atoms to form SLa2Er2 tetrahedra that share  a cornercorner with one S(2)La4Er square pyramid, corners with two equivalent S(7)La4Er square pyramids, corners with three equivalent S(8)La2Er3 square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(12)LaEr4 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(7)La4Er square pyramid, and  an edgeedge with one S(5)La4Er trigonal bipyramid. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Er(3), three equivalent Er(4), and one La(2) atom. In the fifth S site, S(5) is bonded to one Er(4), two equivalent La(1), and two equivalent La(3) atoms to form SLa4Er trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(2)La4Er square pyramid,  an edgeedge with one S(7)La4Er square pyramid,  an edgeedge with one S(3)La2Er2 tetrahedra, edges with two equivalent S(5)La4Er trigonal bipyramids, edges with two equivalent S(12)LaEr4 trigonal bipyramids, and  a faceface with one S(6)La4Er trigonal bipyramid. In the sixth S site, S(6) is bonded to one Er(4), two equivalent La(2), and two equivalent La(3) atoms to form distorted SLa4Er trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(12)LaEr4 trigonal bipyramids,  an edgeedge with one S(2)La4Er square pyramid,  an edgeedge with one S(7)La4Er square pyramid,  an edgeedge with one S(1)La2Er3 trigonal bipyramid, edges with two equivalent S(6)La4Er trigonal bipyramids, edges with two equivalent S(10)La2Er2 trigonal pyramids, and  a faceface with one S(5)La4Er trigonal bipyramid. In the seventh S site, S(7) is bonded to one Er(3), two equivalent La(1), and two equivalent La(2) atoms to form distorted SLa4Er square pyramids that share corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids, edges with two equivalent S(7)La4Er square pyramids,  an edgeedge with one S(3)La2Er2 tetrahedra,  an edgeedge with one S(5)La4Er trigonal bipyramid,  an edgeedge with one S(6)La4Er trigonal bipyramid, edges with two equivalent S(12)LaEr4 trigonal bipyramids, and  a faceface with one S(1)La2Er3 trigonal bipyramid. In the eighth S site, S(8) is bonded to three equivalent Er(1) and two equivalent La(4) atoms to form SLa2Er3 square pyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with three equivalent S(3)La2Er2 tetrahedra, corners with four equivalent S(9)La3Er2 trigonal bipyramids,  an edgeedge with one S(2)La4Er square pyramid, edges with four equivalent S(8)La2Er3 square pyramids, and  an edgeedge with one S(9)La3Er2 trigonal bipyramid. In the ninth S site, S(9) is bonded to two equivalent Er(2) and three equivalent La(4) atoms to form distorted SLa3Er2 trigonal bipyramids that share corners with two equivalent S(2)La4Er square pyramids, corners with four equivalent S(8)La2Er3 square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(10)La2Er2 trigonal pyramids,  an edgeedge with one S(8)La2Er3 square pyramid, edges with three equivalent S(2)La4Er square pyramids, edges with four equivalent S(9)La3Er2 trigonal bipyramids, and  an edgeedge with one S(10)La2Er2 trigonal pyramid. In the tenth S site, S(10) is bonded to two equivalent Er(2), one La(2), and one La(3) atom to form distorted SLa2Er2 trigonal pyramids that share corners with two equivalent S(7)La4Er square pyramids, corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(1)La2Er3 trigonal bipyramids, corners with two equivalent S(9)La3Er2 trigonal bipyramids, corners with two equivalent S(5)La4Er trigonal bipyramids, corners with two equivalent S(10)La2Er2 trigonal pyramids, edges with two equivalent S(2)La4Er square pyramids,  an edgeedge with one S(9)La3Er2 trigonal bipyramid, and edges with two equivalent S(6)La4Er trigonal bipyramids. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent Er(1), one La(1), one La(3), and one La(4) atom. In the twelfth S site, S(12) is bonded to two equivalent Er(3), two equivalent Er(4), and one La(1) atom to form distorted SLaEr4 trigonal bipyramids that share corners with two equivalent S(3)La2Er2 tetrahedra, corners with two equivalent S(6)La4Er trigonal bipyramids, corners with four equivalent S(1)La2Er3 trigonal bipyramids, edges with two equivalent S(7)La4Er square pyramids,  an edgeedge with one S(1)La2Er3 trigonal bipyramid, edges with two equivalent S(5)La4Er trigonal bipyramids, and edges with two equivalent S(12)LaEr4 trigonal bipyramids. is represented by the CIF file [CIF]
data_LaErS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.002
_cell_length_b   11.076
_cell_length_c   21.610
_cell_angle_alpha   78.684
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   939.227
_cell_formula_units_Z   8
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
  La  La0  1  0.250  0.301  0.766  1.0
  La  La1  1  0.750  0.699  0.234  1.0
  La  La2  1  0.250  0.908  0.865  1.0
  La  La3  1  0.750  0.092  0.135  1.0
  La  La4  1  0.250  0.690  0.734  1.0
  La  La5  1  0.750  0.310  0.266  1.0
  La  La6  1  0.250  0.800  0.536  1.0
  La  La7  1  0.750  0.200  0.464  1.0
  Er  Er8  1  0.250  0.553  0.417  1.0
  Er  Er9  1  0.750  0.447  0.583  1.0
  Er  Er10  1  0.250  0.972  0.350  1.0
  Er  Er11  1  0.750  0.028  0.650  1.0
  Er  Er12  1  0.250  0.819  0.047  1.0
  Er  Er13  1  0.750  0.181  0.953  1.0
  Er  Er14  1  0.250  0.478  0.087  1.0
  Er  Er15  1  0.750  0.522  0.913  1.0
  S  S16  1  0.250  0.087  0.035  1.0
  S  S17  1  0.750  0.913  0.965  1.0
  S  S18  1  0.250  0.205  0.365  1.0
  S  S19  1  0.750  0.795  0.635  1.0
  S  S20  1  0.250  0.746  0.325  1.0
  S  S21  1  0.750  0.254  0.675  1.0
  S  S22  1  0.250  0.634  0.965  1.0
  S  S23  1  0.750  0.366  0.035  1.0
  S  S24  1  0.250  0.508  0.220  1.0
  S  S25  1  0.750  0.492  0.780  1.0
  S  S26  1  0.250  0.253  0.172  1.0
  S  S27  1  0.750  0.747  0.828  1.0
  S  S28  1  0.250  0.875  0.162  1.0
  S  S29  1  0.750  0.125  0.838  1.0
  S  S30  1  0.250  0.358  0.514  1.0
  S  S31  1  0.750  0.642  0.486  1.0
  S  S32  1  0.250  0.057  0.557  1.0
  S  S33  1  0.750  0.943  0.443  1.0
  S  S34  1  0.250  0.964  0.730  1.0
  S  S35  1  0.750  0.036  0.270  1.0
  S  S36  1  0.250  0.544  0.634  1.0
  S  S37  1  0.750  0.456  0.366  1.0
  S  S38  1  0.250  0.343  0.902  1.0
  S  S39  1  0.750  0.657  0.098  1.0
[/CIF]
.