The compound described by LaSbSe3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Se(3), three equivalent Se(1), and three equivalent Se(2) atoms. Sb(1) is bonded to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form distorted edge-sharing SbSe5 square pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Sb(1) atom. In the second Se site, Se(2) is bonded to three equivalent La(1) and two equivalent Sb(1) atoms to form edge-sharing SeLa3Sb2 trigonal bipyramids. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_LaSbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   11.184
_cell_length_c   12.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.448
_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  0.750  0.503  0.682  1.0
  La  La1  1  0.750  0.997  0.182  1.0
  La  La2  1  0.250  0.497  0.318  1.0
  La  La3  1  0.250  0.003  0.818  1.0
  Sb  Sb4  1  0.250  0.192  0.534  1.0
  Sb  Sb5  1  0.250  0.308  0.034  1.0
  Sb  Sb6  1  0.750  0.808  0.466  1.0
  Sb  Sb7  1  0.750  0.692  0.966  1.0
  Se  Se8  1  0.250  0.305  0.721  1.0
  Se  Se9  1  0.250  0.195  0.221  1.0
  Se  Se10  1  0.750  0.695  0.279  1.0
  Se  Se11  1  0.750  0.805  0.779  1.0
  Se  Se12  1  0.250  0.634  0.540  1.0
  Se  Se13  1  0.250  0.866  0.040  1.0
  Se  Se14  1  0.750  0.366  0.460  1.0
  Se  Se15  1  0.750  0.134  0.960  1.0
  Se  Se16  1  0.750  0.045  0.625  1.0
  Se  Se17  1  0.750  0.455  0.125  1.0
  Se  Se18  1  0.250  0.955  0.375  1.0
  Se  Se19  1  0.250  0.545  0.875  1.0
[/CIF]
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The compound described by LaSbSe3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Se(3), three equivalent Se(1), and three equivalent Se(2) atoms. Sb(1) is bonded to one Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form distorted edge-sharing SbSe5 square pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Sb(1) atom. In the second Se site, Se(2) is bonded to three equivalent La(1) and two equivalent Sb(1) atoms to form edge-sharing SeLa3Sb2 trigonal bipyramids. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_LaSbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   11.184
_cell_length_c   12.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.448
_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  0.750  0.503  0.682  1.0
  La  La1  1  0.750  0.997  0.182  1.0
  La  La2  1  0.250  0.497  0.318  1.0
  La  La3  1  0.250  0.003  0.818  1.0
  Sb  Sb4  1  0.250  0.192  0.534  1.0
  Sb  Sb5  1  0.250  0.308  0.034  1.0
  Sb  Sb6  1  0.750  0.808  0.466  1.0
  Sb  Sb7  1  0.750  0.692  0.966  1.0
  Se  Se8  1  0.250  0.305  0.721  1.0
  Se  Se9  1  0.250  0.195  0.221  1.0
  Se  Se10  1  0.750  0.695  0.279  1.0
  Se  Se11  1  0.750  0.805  0.779  1.0
  Se  Se12  1  0.250  0.634  0.540  1.0
  Se  Se13  1  0.250  0.866  0.040  1.0
  Se  Se14  1  0.750  0.366  0.460  1.0
  Se  Se15  1  0.750  0.134  0.960  1.0
  Se  Se16  1  0.750  0.045  0.625  1.0
  Se  Se17  1  0.750  0.455  0.125  1.0
  Se  Se18  1  0.250  0.955  0.375  1.0
  Se  Se19  1  0.250  0.545  0.875  1.0
[/CIF]
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