The compound described by LaSeCl crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to five equivalent Se(1) and four equivalent Cl(1) atoms. Se(1) is bonded to five equivalent La(1) atoms to form distorted SeLa5 trigonal bipyramids that share corners with eight equivalent Cl(1)La4 tetrahedra, corners with eight equivalent Se(1)La5 trigonal bipyramids, edges with six equivalent Cl(1)La4 tetrahedra, and edges with six equivalent Se(1)La5 trigonal bipyramids. Cl(1) is bonded to four equivalent La(1) atoms to form distorted ClLa4 tetrahedra that share corners with eight equivalent Cl(1)La4 tetrahedra, corners with eight equivalent Se(1)La5 trigonal bipyramids, edges with two equivalent Cl(1)La4 tetrahedra, and edges with six equivalent Se(1)La5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.363
_cell_length_b   7.643
_cell_length_c   9.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.897
_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  0.259  0.369  1.0
  La  La1  1  0.250  0.759  0.131  1.0
  La  La2  1  0.750  0.741  0.631  1.0
  La  La3  1  0.750  0.241  0.869  1.0
  Se  Se4  1  0.250  0.459  0.672  1.0
  Se  Se5  1  0.250  0.959  0.828  1.0
  Se  Se6  1  0.750  0.541  0.328  1.0
  Se  Se7  1  0.750  0.041  0.172  1.0
  Cl  Cl8  1  0.250  0.865  0.440  1.0
  Cl  Cl9  1  0.250  0.365  0.060  1.0
  Cl  Cl10  1  0.750  0.135  0.560  1.0
  Cl  Cl11  1  0.750  0.635  0.940  1.0
[/CIF]
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The compound described by LaSeCl crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to five equivalent Se(1) and four equivalent Cl(1) atoms. Se(1) is bonded to five equivalent La(1) atoms to form distorted SeLa5 trigonal bipyramids that share corners with eight equivalent Cl(1)La4 tetrahedra, corners with eight equivalent Se(1)La5 trigonal bipyramids, edges with six equivalent Cl(1)La4 tetrahedra, and edges with six equivalent Se(1)La5 trigonal bipyramids. Cl(1) is bonded to four equivalent La(1) atoms to form distorted ClLa4 tetrahedra that share corners with eight equivalent Cl(1)La4 tetrahedra, corners with eight equivalent Se(1)La5 trigonal bipyramids, edges with two equivalent Cl(1)La4 tetrahedra, and edges with six equivalent Se(1)La5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.363
_cell_length_b   7.643
_cell_length_c   9.143
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.897
_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  0.259  0.369  1.0
  La  La1  1  0.250  0.759  0.131  1.0
  La  La2  1  0.750  0.741  0.631  1.0
  La  La3  1  0.750  0.241  0.869  1.0
  Se  Se4  1  0.250  0.459  0.672  1.0
  Se  Se5  1  0.250  0.959  0.828  1.0
  Se  Se6  1  0.750  0.541  0.328  1.0
  Se  Se7  1  0.750  0.041  0.172  1.0
  Cl  Cl8  1  0.250  0.865  0.440  1.0
  Cl  Cl9  1  0.250  0.365  0.060  1.0
  Cl  Cl10  1  0.750  0.135  0.560  1.0
  Cl  Cl11  1  0.750  0.635  0.940  1.0
[/CIF]
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