The material described by La2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second La site, La(2) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing LaS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of distorted face, corner, and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of distorted face, corner, and edge-sharing SLa5 square pyramids. In the third S site, S(3) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   7.628
_cell_length_c   15.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.188
_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
  La  La0  1  0.250  0.646  0.295  1.0
  La  La1  1  0.750  0.354  0.705  1.0
  La  La2  1  0.250  0.146  0.205  1.0
  La  La3  1  0.750  0.854  0.795  1.0
  La  La4  1  0.250  0.264  0.956  1.0
  La  La5  1  0.750  0.736  0.044  1.0
  La  La6  1  0.250  0.764  0.544  1.0
  La  La7  1  0.750  0.236  0.456  1.0
  S  S8  1  0.250  0.871  0.933  1.0
  S  S9  1  0.750  0.129  0.067  1.0
  S  S10  1  0.250  0.371  0.567  1.0
  S  S11  1  0.750  0.629  0.433  1.0
  S  S12  1  0.250  0.646  0.720  1.0
  S  S13  1  0.750  0.354  0.280  1.0
  S  S14  1  0.250  0.146  0.780  1.0
  S  S15  1  0.750  0.854  0.220  1.0
  S  S16  1  0.750  0.988  0.609  1.0
  S  S17  1  0.250  0.012  0.391  1.0
  S  S18  1  0.750  0.488  0.891  1.0
  S  S19  1  0.250  0.512  0.109  1.0
[/CIF]
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The material described by La2S3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second La site, La(2) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing LaS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of distorted face, corner, and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of distorted face, corner, and edge-sharing SLa5 square pyramids. In the third S site, S(3) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   7.628
_cell_length_c   15.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.188
_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
  La  La0  1  0.250  0.646  0.295  1.0
  La  La1  1  0.750  0.354  0.705  1.0
  La  La2  1  0.250  0.146  0.205  1.0
  La  La3  1  0.750  0.854  0.795  1.0
  La  La4  1  0.250  0.264  0.956  1.0
  La  La5  1  0.750  0.736  0.044  1.0
  La  La6  1  0.250  0.764  0.544  1.0
  La  La7  1  0.750  0.236  0.456  1.0
  S  S8  1  0.250  0.871  0.933  1.0
  S  S9  1  0.750  0.129  0.067  1.0
  S  S10  1  0.250  0.371  0.567  1.0
  S  S11  1  0.750  0.629  0.433  1.0
  S  S12  1  0.250  0.646  0.720  1.0
  S  S13  1  0.750  0.354  0.280  1.0
  S  S14  1  0.250  0.146  0.780  1.0
  S  S15  1  0.750  0.854  0.220  1.0
  S  S16  1  0.750  0.988  0.609  1.0
  S  S17  1  0.250  0.012  0.391  1.0
  S  S18  1  0.750  0.488  0.891  1.0
  S  S19  1  0.250  0.512  0.109  1.0
[/CIF]
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