The material described by In4Bi2S9 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one S(8), two equivalent S(6), and three equivalent S(1) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, edges with four equivalent In(1)S6 octahedra, and edges with two equivalent In(3)S4 trigonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the second In site, In(2) is bonded to one S(7), one S(9), two equivalent S(3), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent In(3)S4 trigonal pyramids, edges with two equivalent In(2)S6 octahedra, and edges with three equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 55°. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(8) atoms to form distorted InS4 trigonal pyramids that share  a cornercorner with one In(4)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(3)S4 trigonal pyramids, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the fourth In site, In(4) is bonded to one S(2), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(1)S5 square pyramids,  a cornercorner with one In(3)S4 trigonal pyramid, edges with two equivalent In(4)S6 octahedra, and edges with three equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent S(2) and three equivalent S(4) atoms to form distorted BiS5 square pyramids that share corners with two equivalent In(4)S6 octahedra, edges with three equivalent In(4)S6 octahedra, and edges with four equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 17°. In the second Bi site, Bi(2) is bonded to two equivalent S(9) and three equivalent S(5) atoms to form distorted BiS5 square pyramids that share corners with two equivalent In(2)S6 octahedra, edges with three equivalent In(2)S6 octahedra, and edges with four equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 20°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one In(3) and two equivalent In(2) atoms. In the fourth S site, S(4) is bonded to two equivalent In(4) and three equivalent Bi(1) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the fifth S site, S(5) is bonded to two equivalent In(2) and three equivalent Bi(2) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(3), one In(4), and two equivalent In(1) atoms. In the seventh S site, S(7) is bonded in a trigonal planar geometry to one In(2) and two equivalent In(4) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(3) atoms. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one In(2) and two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_In4Bi2S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   11.258
_cell_length_c   16.466
_cell_angle_alpha   85.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   728.731
_cell_formula_units_Z   2
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
  In  In0  1  0.250  0.492  0.405  1.0
  In  In1  1  0.250  0.261  0.082  1.0
  In  In2  1  0.750  0.508  0.595  1.0
  In  In3  1  0.750  0.739  0.918  1.0
  In  In4  1  0.750  0.501  0.215  1.0
  In  In5  1  0.250  0.862  0.682  1.0
  In  In6  1  0.750  0.138  0.318  1.0
  In  In7  1  0.250  0.499  0.785  1.0
  Bi  Bi8  1  0.750  0.134  0.574  1.0
  Bi  Bi9  1  0.250  0.891  0.098  1.0
  Bi  Bi10  1  0.250  0.866  0.426  1.0
  Bi  Bi11  1  0.750  0.109  0.902  1.0
  S  S12  1  0.250  0.375  0.546  1.0
  S  S13  1  0.250  0.096  0.684  1.0
  S  S14  1  0.750  0.625  0.454  1.0
  S  S15  1  0.750  0.408  0.085  1.0
  S  S16  1  0.750  0.901  0.566  1.0
  S  S17  1  0.750  0.087  0.059  1.0
  S  S18  1  0.750  0.362  0.345  1.0
  S  S19  1  0.750  0.851  0.780  1.0
  S  S20  1  0.250  0.615  0.258  1.0
  S  S21  1  0.250  0.592  0.915  1.0
  S  S22  1  0.250  0.149  0.220  1.0
  S  S23  1  0.250  0.913  0.941  1.0
  S  S24  1  0.250  0.269  0.923  1.0
  S  S25  1  0.750  0.385  0.742  1.0
  S  S26  1  0.750  0.904  0.316  1.0
  S  S27  1  0.250  0.638  0.655  1.0
  S  S28  1  0.250  0.099  0.434  1.0
  S  S29  1  0.750  0.731  0.077  1.0
[/CIF]
.
The material described by In4Bi2S9 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one S(8), two equivalent S(6), and three equivalent S(1) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, edges with four equivalent In(1)S6 octahedra, and edges with two equivalent In(3)S4 trigonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the second In site, In(2) is bonded to one S(7), one S(9), two equivalent S(3), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent In(3)S4 trigonal pyramids, edges with two equivalent In(2)S6 octahedra, and edges with three equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 55°. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(8) atoms to form distorted InS4 trigonal pyramids that share  a cornercorner with one In(4)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(3)S4 trigonal pyramids, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the fourth In site, In(4) is bonded to one S(2), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(1)S5 square pyramids,  a cornercorner with one In(3)S4 trigonal pyramid, edges with two equivalent In(4)S6 octahedra, and edges with three equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent S(2) and three equivalent S(4) atoms to form distorted BiS5 square pyramids that share corners with two equivalent In(4)S6 octahedra, edges with three equivalent In(4)S6 octahedra, and edges with four equivalent Bi(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 17°. In the second Bi site, Bi(2) is bonded to two equivalent S(9) and three equivalent S(5) atoms to form distorted BiS5 square pyramids that share corners with two equivalent In(2)S6 octahedra, edges with three equivalent In(2)S6 octahedra, and edges with four equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 20°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent In(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent Bi(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one In(3) and two equivalent In(2) atoms. In the fourth S site, S(4) is bonded to two equivalent In(4) and three equivalent Bi(1) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the fifth S site, S(5) is bonded to two equivalent In(2) and three equivalent Bi(2) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(3), one In(4), and two equivalent In(1) atoms. In the seventh S site, S(7) is bonded in a trigonal planar geometry to one In(2) and two equivalent In(4) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(3) atoms. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one In(2) and two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_In4Bi2S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   11.258
_cell_length_c   16.466
_cell_angle_alpha   85.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   728.731
_cell_formula_units_Z   2
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
  In  In0  1  0.250  0.492  0.405  1.0
  In  In1  1  0.250  0.261  0.082  1.0
  In  In2  1  0.750  0.508  0.595  1.0
  In  In3  1  0.750  0.739  0.918  1.0
  In  In4  1  0.750  0.501  0.215  1.0
  In  In5  1  0.250  0.862  0.682  1.0
  In  In6  1  0.750  0.138  0.318  1.0
  In  In7  1  0.250  0.499  0.785  1.0
  Bi  Bi8  1  0.750  0.134  0.574  1.0
  Bi  Bi9  1  0.250  0.891  0.098  1.0
  Bi  Bi10  1  0.250  0.866  0.426  1.0
  Bi  Bi11  1  0.750  0.109  0.902  1.0
  S  S12  1  0.250  0.375  0.546  1.0
  S  S13  1  0.250  0.096  0.684  1.0
  S  S14  1  0.750  0.625  0.454  1.0
  S  S15  1  0.750  0.408  0.085  1.0
  S  S16  1  0.750  0.901  0.566  1.0
  S  S17  1  0.750  0.087  0.059  1.0
  S  S18  1  0.750  0.362  0.345  1.0
  S  S19  1  0.750  0.851  0.780  1.0
  S  S20  1  0.250  0.615  0.258  1.0
  S  S21  1  0.250  0.592  0.915  1.0
  S  S22  1  0.250  0.149  0.220  1.0
  S  S23  1  0.250  0.913  0.941  1.0
  S  S24  1  0.250  0.269  0.923  1.0
  S  S25  1  0.750  0.385  0.742  1.0
  S  S26  1  0.750  0.904  0.316  1.0
  S  S27  1  0.250  0.638  0.655  1.0
  S  S28  1  0.250  0.099  0.434  1.0
  S  S29  1  0.750  0.731  0.077  1.0
[/CIF]
.