The material described by La3Se4Cl crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(3), two equivalent Se(4), and two equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and one Cl(1) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and one Cl(1) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted SeLa5 square pyramids that share corners with four equivalent Se(1)La5 square pyramids, corners with four equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra,  a cornercorner with one Se(3)La5 trigonal bipyramid,  an edgeedge with one Se(2)La5 square pyramid, edges with two equivalent Cl(1)La4 tetrahedra, edges with four equivalent Se(3)La5 trigonal bipyramids, and  a faceface with one Se(2)La5 square pyramid. In the second Se site, Se(2) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form SeLa5 square pyramids that share corners with four equivalent Se(1)La5 square pyramids, corners with four equivalent Cl(1)La4 tetrahedra, corners with five equivalent Se(3)La5 trigonal bipyramids,  an edgeedge with one Se(1)La5 square pyramid, edges with two equivalent Se(2)La5 square pyramids,  an edgeedge with one Cl(1)La4 tetrahedra, edges with two equivalent Se(3)La5 trigonal bipyramids, and  a faceface with one Se(1)La5 square pyramid. In the third Se site, Se(3) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted SeLa5 trigonal bipyramids that share  a cornercorner with one Se(1)La5 square pyramid, corners with five equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra, corners with four equivalent Se(3)La5 trigonal bipyramids, edges with two equivalent Se(2)La5 square pyramids, edges with four equivalent Se(1)La5 square pyramids, and edges with two equivalent Cl(1)La4 tetrahedra. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(3), and two equivalent La(1) atoms. Cl(1) is bonded to one La(2), one La(3), and two equivalent La(1) atoms to form distorted ClLa4 tetrahedra that share corners with two equivalent Se(1)La5 square pyramids, corners with four equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra, corners with two equivalent Se(3)La5 trigonal bipyramids,  an edgeedge with one Se(2)La5 square pyramid, edges with two equivalent Se(1)La5 square pyramids, and edges with two equivalent Se(3)La5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La3Se4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   8.585
_cell_length_c   12.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.615
_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  0.419  0.252  0.510  1.0
  La  La1  1  0.081  0.252  0.010  1.0
  La  La2  1  0.581  0.752  0.490  1.0
  La  La3  1  0.919  0.752  0.990  1.0
  La  La4  1  0.474  0.999  0.817  1.0
  La  La5  1  0.012  0.498  0.326  1.0
  La  La6  1  0.526  0.499  0.183  1.0
  La  La7  1  0.988  0.998  0.674  1.0
  La  La8  1  0.512  0.998  0.174  1.0
  La  La9  1  0.974  0.499  0.683  1.0
  La  La10  1  0.488  0.498  0.826  1.0
  La  La11  1  0.026  0.999  0.317  1.0
  Se  Se12  1  0.200  0.252  0.781  1.0
  Se  Se13  1  0.300  0.252  0.281  1.0
  Se  Se14  1  0.800  0.752  0.219  1.0
  Se  Se15  1  0.700  0.752  0.719  1.0
  Se  Se16  1  0.036  0.254  0.502  1.0
  Se  Se17  1  0.464  0.254  0.002  1.0
  Se  Se18  1  0.964  0.754  0.498  1.0
  Se  Se19  1  0.536  0.754  0.998  1.0
  Se  Se20  1  0.673  0.249  0.688  1.0
  Se  Se21  1  0.827  0.249  0.188  1.0
  Se  Se22  1  0.327  0.749  0.312  1.0
  Se  Se23  1  0.173  0.749  0.812  1.0
  Se  Se24  1  0.838  0.454  0.902  1.0
  Se  Se25  1  0.162  0.954  0.098  1.0
  Se  Se26  1  0.338  0.954  0.598  1.0
  Se  Se27  1  0.662  0.454  0.402  1.0
  Cl  Cl28  1  0.659  0.042  0.396  1.0
  Cl  Cl29  1  0.341  0.542  0.604  1.0
  Cl  Cl30  1  0.159  0.542  0.104  1.0
  Cl  Cl31  1  0.841  0.042  0.896  1.0
[/CIF]
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The material described by La3Se4Cl crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(2), one Se(3), two equivalent Se(4), and two equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and one Cl(1) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and one Cl(1) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted SeLa5 square pyramids that share corners with four equivalent Se(1)La5 square pyramids, corners with four equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra,  a cornercorner with one Se(3)La5 trigonal bipyramid,  an edgeedge with one Se(2)La5 square pyramid, edges with two equivalent Cl(1)La4 tetrahedra, edges with four equivalent Se(3)La5 trigonal bipyramids, and  a faceface with one Se(2)La5 square pyramid. In the second Se site, Se(2) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form SeLa5 square pyramids that share corners with four equivalent Se(1)La5 square pyramids, corners with four equivalent Cl(1)La4 tetrahedra, corners with five equivalent Se(3)La5 trigonal bipyramids,  an edgeedge with one Se(1)La5 square pyramid, edges with two equivalent Se(2)La5 square pyramids,  an edgeedge with one Cl(1)La4 tetrahedra, edges with two equivalent Se(3)La5 trigonal bipyramids, and  a faceface with one Se(1)La5 square pyramid. In the third Se site, Se(3) is bonded to one La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted SeLa5 trigonal bipyramids that share  a cornercorner with one Se(1)La5 square pyramid, corners with five equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra, corners with four equivalent Se(3)La5 trigonal bipyramids, edges with two equivalent Se(2)La5 square pyramids, edges with four equivalent Se(1)La5 square pyramids, and edges with two equivalent Cl(1)La4 tetrahedra. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(3), and two equivalent La(1) atoms. Cl(1) is bonded to one La(2), one La(3), and two equivalent La(1) atoms to form distorted ClLa4 tetrahedra that share corners with two equivalent Se(1)La5 square pyramids, corners with four equivalent Se(2)La5 square pyramids, corners with two equivalent Cl(1)La4 tetrahedra, corners with two equivalent Se(3)La5 trigonal bipyramids,  an edgeedge with one Se(2)La5 square pyramid, edges with two equivalent Se(1)La5 square pyramids, and edges with two equivalent Se(3)La5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La3Se4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   8.585
_cell_length_c   12.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.615
_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  0.419  0.252  0.510  1.0
  La  La1  1  0.081  0.252  0.010  1.0
  La  La2  1  0.581  0.752  0.490  1.0
  La  La3  1  0.919  0.752  0.990  1.0
  La  La4  1  0.474  0.999  0.817  1.0
  La  La5  1  0.012  0.498  0.326  1.0
  La  La6  1  0.526  0.499  0.183  1.0
  La  La7  1  0.988  0.998  0.674  1.0
  La  La8  1  0.512  0.998  0.174  1.0
  La  La9  1  0.974  0.499  0.683  1.0
  La  La10  1  0.488  0.498  0.826  1.0
  La  La11  1  0.026  0.999  0.317  1.0
  Se  Se12  1  0.200  0.252  0.781  1.0
  Se  Se13  1  0.300  0.252  0.281  1.0
  Se  Se14  1  0.800  0.752  0.219  1.0
  Se  Se15  1  0.700  0.752  0.719  1.0
  Se  Se16  1  0.036  0.254  0.502  1.0
  Se  Se17  1  0.464  0.254  0.002  1.0
  Se  Se18  1  0.964  0.754  0.498  1.0
  Se  Se19  1  0.536  0.754  0.998  1.0
  Se  Se20  1  0.673  0.249  0.688  1.0
  Se  Se21  1  0.827  0.249  0.188  1.0
  Se  Se22  1  0.327  0.749  0.312  1.0
  Se  Se23  1  0.173  0.749  0.812  1.0
  Se  Se24  1  0.838  0.454  0.902  1.0
  Se  Se25  1  0.162  0.954  0.098  1.0
  Se  Se26  1  0.338  0.954  0.598  1.0
  Se  Se27  1  0.662  0.454  0.402  1.0
  Cl  Cl28  1  0.659  0.042  0.396  1.0
  Cl  Cl29  1  0.341  0.542  0.604  1.0
  Cl  Cl30  1  0.159  0.542  0.104  1.0
  Cl  Cl31  1  0.841  0.042  0.896  1.0
[/CIF]
.