The structure described by La3Si2S8Cl crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), three equivalent S(4), and one Cl(1) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), four equivalent S(1), and one Cl(1) atom. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one La(1), two equivalent La(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SLa3Si trigonal pyramids. In the second S site, S(2) is bonded to one La(2), two equivalent La(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SLa3Si tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Si(1) atom. Cl(1) is bonded in a 3-coordinate geometry to one La(2) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La3Si2S8Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.804
_cell_length_b   8.804
_cell_length_c   11.090
_cell_angle_alpha   83.872
_cell_angle_beta   83.872
_cell_angle_gamma   52.625
_symmetry_Int_Tables_number   1
_cell_volume   678.246
_cell_formula_units_Z   2
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  0.073  0.311  0.814  1.0
  La  La1  1  0.689  0.927  0.686  1.0
  La  La2  1  0.311  0.073  0.314  1.0
  La  La3  1  0.617  0.383  0.250  1.0
  La  La4  1  0.927  0.689  0.186  1.0
  La  La5  1  0.383  0.617  0.750  1.0
  Si  Si6  1  0.371  0.308  0.031  1.0
  Si  Si7  1  0.629  0.692  0.969  1.0
  Si  Si8  1  0.692  0.629  0.469  1.0
  Si  Si9  1  0.308  0.371  0.531  1.0
  S  S10  1  0.720  0.412  0.948  1.0
  S  S11  1  0.441  0.261  0.843  1.0
  S  S12  1  0.893  0.401  0.358  1.0
  S  S13  1  0.401  0.893  0.858  1.0
  S  S14  1  0.739  0.559  0.657  1.0
  S  S15  1  0.280  0.588  0.052  1.0
  S  S16  1  0.857  0.710  0.916  1.0
  S  S17  1  0.261  0.441  0.343  1.0
  S  S18  1  0.588  0.280  0.552  1.0
  S  S19  1  0.290  0.143  0.584  1.0
  S  S20  1  0.143  0.290  0.084  1.0
  S  S21  1  0.412  0.720  0.448  1.0
  S  S22  1  0.710  0.857  0.416  1.0
  S  S23  1  0.599  0.107  0.142  1.0
  S  S24  1  0.107  0.599  0.642  1.0
  S  S25  1  0.559  0.739  0.157  1.0
  Cl  Cl26  1  0.005  0.995  0.750  1.0
  Cl  Cl27  1  0.995  0.005  0.250  1.0
[/CIF]
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The structure described by La3Si2S8Cl crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(3), three equivalent S(4), and one Cl(1) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), four equivalent S(1), and one Cl(1) atom. Si(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one La(1), two equivalent La(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SLa3Si trigonal pyramids. In the second S site, S(2) is bonded to one La(2), two equivalent La(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SLa3Si tetrahedra. In the third S site, S(3) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Si(1) atom. Cl(1) is bonded in a 3-coordinate geometry to one La(2) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_La3Si2S8Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.804
_cell_length_b   8.804
_cell_length_c   11.090
_cell_angle_alpha   83.872
_cell_angle_beta   83.872
_cell_angle_gamma   52.625
_symmetry_Int_Tables_number   1
_cell_volume   678.246
_cell_formula_units_Z   2
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  0.073  0.311  0.814  1.0
  La  La1  1  0.689  0.927  0.686  1.0
  La  La2  1  0.311  0.073  0.314  1.0
  La  La3  1  0.617  0.383  0.250  1.0
  La  La4  1  0.927  0.689  0.186  1.0
  La  La5  1  0.383  0.617  0.750  1.0
  Si  Si6  1  0.371  0.308  0.031  1.0
  Si  Si7  1  0.629  0.692  0.969  1.0
  Si  Si8  1  0.692  0.629  0.469  1.0
  Si  Si9  1  0.308  0.371  0.531  1.0
  S  S10  1  0.720  0.412  0.948  1.0
  S  S11  1  0.441  0.261  0.843  1.0
  S  S12  1  0.893  0.401  0.358  1.0
  S  S13  1  0.401  0.893  0.858  1.0
  S  S14  1  0.739  0.559  0.657  1.0
  S  S15  1  0.280  0.588  0.052  1.0
  S  S16  1  0.857  0.710  0.916  1.0
  S  S17  1  0.261  0.441  0.343  1.0
  S  S18  1  0.588  0.280  0.552  1.0
  S  S19  1  0.290  0.143  0.584  1.0
  S  S20  1  0.143  0.290  0.084  1.0
  S  S21  1  0.412  0.720  0.448  1.0
  S  S22  1  0.710  0.857  0.416  1.0
  S  S23  1  0.599  0.107  0.142  1.0
  S  S24  1  0.107  0.599  0.642  1.0
  S  S25  1  0.559  0.739  0.157  1.0
  Cl  Cl26  1  0.005  0.995  0.750  1.0
  Cl  Cl27  1  0.995  0.005  0.250  1.0
[/CIF]
.