The compound described by BaLa(BiS3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one S(3), one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. La(1) is bonded in a 9-coordinate geometry to one S(1), one S(6), two equivalent S(2), two equivalent S(5), and three equivalent S(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(5), one S(6), two equivalent S(1), and two equivalent S(3) atoms to form distorted BiS6 octahedra that share corners with four equivalent Bi(2)S5 square pyramids, edges with two equivalent Bi(1)S6 octahedra, and  an edgeedge with one Bi(2)S5 square pyramid. In the second Bi site, Bi(2) is bonded to one S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted BiS5 square pyramids that share corners with four equivalent Bi(1)S6 octahedra,  an edgeedge with one Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 8-89°. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent Bi(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(1), two equivalent La(1), and one Bi(2) atom to form distorted SBa2La2Bi square pyramids that share corners with four equivalent S(5)Ba2La2Bi square pyramids, corners with two equivalent S(6)BaLaBi3 trigonal bipyramids, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and edges with two equivalent S(6)BaLaBi3 trigonal bipyramids. In the third S site, S(3) is bonded to one Ba(1), two equivalent Bi(1), and two equivalent Bi(2) atoms to form distorted SBaBi4 square pyramids that share corners with five equivalent S(6)BaLaBi3 trigonal bipyramids, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and  an edgeedge with one S(6)BaLaBi3 trigonal bipyramid. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent La(1), and one S(4) atom. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent La(1), and one Bi(1) atom to form SBa2La2Bi square pyramids that share corners with four equivalent S(2)Ba2La2Bi square pyramids,  a cornercorner with one S(6)BaLaBi3 trigonal bipyramid, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and edges with two equivalent S(6)BaLaBi3 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Ba(1), one La(1), one Bi(1), and two equivalent Bi(2) atoms to form SBaLaBi3 trigonal bipyramids that share  a cornercorner with one S(5)Ba2La2Bi square pyramid, corners with two equivalent S(2)Ba2La2Bi square pyramids, corners with five equivalent S(3)BaBi4 square pyramids, corners with two equivalent S(6)BaLaBi3 trigonal bipyramids,  an edgeedge with one S(3)BaBi4 square pyramid, edges with two equivalent S(2)Ba2La2Bi square pyramids, and edges with two equivalent S(5)Ba2La2Bi square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa(BiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.959
_cell_length_b   4.232
_cell_length_c   16.622
_cell_angle_alpha   87.280
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1051.035
_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
  Ba  Ba0  1  0.289  0.744  0.670  1.0
  Ba  Ba1  1  0.789  0.256  0.830  1.0
  Ba  Ba2  1  0.711  0.256  0.330  1.0
  Ba  Ba3  1  0.211  0.744  0.170  1.0
  La  La4  1  0.126  0.705  0.906  1.0
  La  La5  1  0.626  0.295  0.594  1.0
  La  La6  1  0.374  0.705  0.406  1.0
  La  La7  1  0.874  0.295  0.094  1.0
  Bi  Bi8  1  0.479  0.242  0.200  1.0
  Bi  Bi9  1  0.521  0.758  0.800  1.0
  Bi  Bi10  1  0.128  0.263  0.470  1.0
  Bi  Bi11  1  0.021  0.242  0.700  1.0
  Bi  Bi12  1  0.979  0.758  0.300  1.0
  Bi  Bi13  1  0.372  0.263  0.970  1.0
  Bi  Bi14  1  0.872  0.737  0.530  1.0
  Bi  Bi15  1  0.628  0.737  0.030  1.0
  S  S16  1  0.963  0.681  0.798  1.0
  S  S17  1  0.707  0.765  0.480  1.0
  S  S18  1  0.207  0.235  0.020  1.0
  S  S19  1  0.084  0.705  0.589  1.0
  S  S20  1  0.988  0.158  0.950  1.0
  S  S21  1  0.916  0.295  0.411  1.0
  S  S22  1  0.827  0.777  0.218  1.0
  S  S23  1  0.488  0.842  0.550  1.0
  S  S24  1  0.673  0.777  0.718  1.0
  S  S25  1  0.012  0.842  0.050  1.0
  S  S26  1  0.173  0.223  0.782  1.0
  S  S27  1  0.584  0.295  0.911  1.0
  S  S28  1  0.416  0.705  0.089  1.0
  S  S29  1  0.512  0.158  0.450  1.0
  S  S30  1  0.169  0.753  0.369  1.0
  S  S31  1  0.037  0.319  0.202  1.0
  S  S32  1  0.293  0.235  0.520  1.0
  S  S33  1  0.463  0.319  0.702  1.0
  S  S34  1  0.331  0.753  0.869  1.0
  S  S35  1  0.793  0.765  0.980  1.0
  S  S36  1  0.669  0.247  0.131  1.0
  S  S37  1  0.327  0.223  0.282  1.0
  S  S38  1  0.831  0.247  0.631  1.0
  S  S39  1  0.537  0.681  0.298  1.0
[/CIF]
.
The compound described by BaLa(BiS3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one S(3), one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. La(1) is bonded in a 9-coordinate geometry to one S(1), one S(6), two equivalent S(2), two equivalent S(5), and three equivalent S(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(5), one S(6), two equivalent S(1), and two equivalent S(3) atoms to form distorted BiS6 octahedra that share corners with four equivalent Bi(2)S5 square pyramids, edges with two equivalent Bi(1)S6 octahedra, and  an edgeedge with one Bi(2)S5 square pyramid. In the second Bi site, Bi(2) is bonded to one S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted BiS5 square pyramids that share corners with four equivalent Bi(1)S6 octahedra,  an edgeedge with one Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 8-89°. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), and two equivalent Bi(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(1), two equivalent La(1), and one Bi(2) atom to form distorted SBa2La2Bi square pyramids that share corners with four equivalent S(5)Ba2La2Bi square pyramids, corners with two equivalent S(6)BaLaBi3 trigonal bipyramids, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and edges with two equivalent S(6)BaLaBi3 trigonal bipyramids. In the third S site, S(3) is bonded to one Ba(1), two equivalent Bi(1), and two equivalent Bi(2) atoms to form distorted SBaBi4 square pyramids that share corners with five equivalent S(6)BaLaBi3 trigonal bipyramids, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and  an edgeedge with one S(6)BaLaBi3 trigonal bipyramid. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent La(1), and one S(4) atom. In the fifth S site, S(5) is bonded to two equivalent Ba(1), two equivalent La(1), and one Bi(1) atom to form SBa2La2Bi square pyramids that share corners with four equivalent S(2)Ba2La2Bi square pyramids,  a cornercorner with one S(6)BaLaBi3 trigonal bipyramid, edges with two equivalent S(2)Ba2La2Bi square pyramids, edges with two equivalent S(5)Ba2La2Bi square pyramids, edges with two equivalent S(3)BaBi4 square pyramids, and edges with two equivalent S(6)BaLaBi3 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Ba(1), one La(1), one Bi(1), and two equivalent Bi(2) atoms to form SBaLaBi3 trigonal bipyramids that share  a cornercorner with one S(5)Ba2La2Bi square pyramid, corners with two equivalent S(2)Ba2La2Bi square pyramids, corners with five equivalent S(3)BaBi4 square pyramids, corners with two equivalent S(6)BaLaBi3 trigonal bipyramids,  an edgeedge with one S(3)BaBi4 square pyramid, edges with two equivalent S(2)Ba2La2Bi square pyramids, and edges with two equivalent S(5)Ba2La2Bi square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa(BiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.959
_cell_length_b   4.232
_cell_length_c   16.622
_cell_angle_alpha   87.280
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1051.035
_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
  Ba  Ba0  1  0.289  0.744  0.670  1.0
  Ba  Ba1  1  0.789  0.256  0.830  1.0
  Ba  Ba2  1  0.711  0.256  0.330  1.0
  Ba  Ba3  1  0.211  0.744  0.170  1.0
  La  La4  1  0.126  0.705  0.906  1.0
  La  La5  1  0.626  0.295  0.594  1.0
  La  La6  1  0.374  0.705  0.406  1.0
  La  La7  1  0.874  0.295  0.094  1.0
  Bi  Bi8  1  0.479  0.242  0.200  1.0
  Bi  Bi9  1  0.521  0.758  0.800  1.0
  Bi  Bi10  1  0.128  0.263  0.470  1.0
  Bi  Bi11  1  0.021  0.242  0.700  1.0
  Bi  Bi12  1  0.979  0.758  0.300  1.0
  Bi  Bi13  1  0.372  0.263  0.970  1.0
  Bi  Bi14  1  0.872  0.737  0.530  1.0
  Bi  Bi15  1  0.628  0.737  0.030  1.0
  S  S16  1  0.963  0.681  0.798  1.0
  S  S17  1  0.707  0.765  0.480  1.0
  S  S18  1  0.207  0.235  0.020  1.0
  S  S19  1  0.084  0.705  0.589  1.0
  S  S20  1  0.988  0.158  0.950  1.0
  S  S21  1  0.916  0.295  0.411  1.0
  S  S22  1  0.827  0.777  0.218  1.0
  S  S23  1  0.488  0.842  0.550  1.0
  S  S24  1  0.673  0.777  0.718  1.0
  S  S25  1  0.012  0.842  0.050  1.0
  S  S26  1  0.173  0.223  0.782  1.0
  S  S27  1  0.584  0.295  0.911  1.0
  S  S28  1  0.416  0.705  0.089  1.0
  S  S29  1  0.512  0.158  0.450  1.0
  S  S30  1  0.169  0.753  0.369  1.0
  S  S31  1  0.037  0.319  0.202  1.0
  S  S32  1  0.293  0.235  0.520  1.0
  S  S33  1  0.463  0.319  0.702  1.0
  S  S34  1  0.331  0.753  0.869  1.0
  S  S35  1  0.793  0.765  0.980  1.0
  S  S36  1  0.669  0.247  0.131  1.0
  S  S37  1  0.327  0.223  0.282  1.0
  S  S38  1  0.831  0.247  0.631  1.0
  S  S39  1  0.537  0.681  0.298  1.0
[/CIF]
.