The material structure described by LaSeS crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 9-coordinate geometry to four equivalent Se(1) and five equivalent S(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Se(1) atom. S(1) is bonded to five equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.183
_cell_length_b   8.395
_cell_length_c   8.400
_cell_angle_alpha   89.753
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.992
_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  0.284  0.627  0.714  1.0
  La  La1  1  0.784  0.873  0.286  1.0
  La  La2  1  0.716  0.373  0.286  1.0
  La  La3  1  0.216  0.127  0.714  1.0
  Se  Se4  1  0.322  0.883  0.002  1.0
  Se  Se5  1  0.822  0.617  0.998  1.0
  Se  Se6  1  0.678  0.117  0.998  1.0
  Se  Se7  1  0.178  0.383  0.002  1.0
  S  S8  1  0.260  0.626  0.366  1.0
  S  S9  1  0.760  0.874  0.634  1.0
  S  S10  1  0.740  0.374  0.634  1.0
  S  S11  1  0.240  0.126  0.366  1.0
[/CIF]
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The material structure described by LaSeS crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 9-coordinate geometry to four equivalent Se(1) and five equivalent S(1) atoms. Se(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and one Se(1) atom. S(1) is bonded to five equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.183
_cell_length_b   8.395
_cell_length_c   8.400
_cell_angle_alpha   89.753
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.992
_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  0.284  0.627  0.714  1.0
  La  La1  1  0.784  0.873  0.286  1.0
  La  La2  1  0.716  0.373  0.286  1.0
  La  La3  1  0.216  0.127  0.714  1.0
  Se  Se4  1  0.322  0.883  0.002  1.0
  Se  Se5  1  0.822  0.617  0.998  1.0
  Se  Se6  1  0.678  0.117  0.998  1.0
  Se  Se7  1  0.178  0.383  0.002  1.0
  S  S8  1  0.260  0.626  0.366  1.0
  S  S9  1  0.760  0.874  0.634  1.0
  S  S10  1  0.740  0.374  0.634  1.0
  S  S11  1  0.240  0.126  0.366  1.0
[/CIF]
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