The material described by In9Ga3(BiS6)4 crystallizes in the monoclinic Pm space group. There are nine inequivalent In sites. In the first In site, In(1) is bonded to one S(13), one S(5), two equivalent S(11), and two equivalent S(23) atoms to form InS6 octahedra that share corners with two equivalent In(8)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second In site, In(2) is bonded to one S(14), one S(6), two equivalent S(12), and two equivalent S(24) atoms to form InS6 octahedra that share corners with two equivalent In(7)S6 octahedra,  a cornercorner with one In(9)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and edges with two equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third In site, In(3) is bonded to one S(15), one S(7), two equivalent S(21), and two equivalent S(9) atoms to form InS6 octahedra that share corners with two equivalent In(6)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra, corners with two equivalent In(9)S4 tetrahedra, and edges with two equivalent In(3)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth In site, In(4) is bonded to one S(16), one S(8), two equivalent S(10), and two equivalent S(22) atoms to form InS6 octahedra that share corners with two equivalent In(5)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth In site, In(5) is bonded to one S(17), one S(2), two equivalent S(3), and two equivalent S(8) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and edges with two equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the sixth In site, In(6) is bonded to one S(1), one S(18), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(3)S6 octahedra, edges with two equivalent In(6)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and edges with two equivalent Ga(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh In site, In(7) is bonded to one S(19), one S(4), two equivalent S(1), and two equivalent S(6) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, edges with two equivalent In(6)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and edges with two equivalent In(9)S4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the eighth In site, In(8) is bonded to one S(20), one S(3), two equivalent S(2), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and edges with two equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the ninth In site, In(9) is bonded to one S(21), one S(6), and two equivalent S(19) atoms to form InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(3)S6 octahedra, corners with two equivalent In(9)S4 tetrahedra, and edges with two equivalent In(7)S6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(22), one S(5), and two equivalent S(20) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(4)S6 octahedra, corners with two equivalent Ga(1)S4 tetrahedra, and edges with two equivalent In(8)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the second Ga site, Ga(2) is bonded to one S(23), one S(8), and two equivalent S(17) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(4)S6 octahedra, corners with two equivalent In(1)S6 octahedra, corners with two equivalent Ga(2)S4 tetrahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the third Ga site, Ga(3) is bonded to one S(24), one S(7), and two equivalent S(18) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(3)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Ga(3)S4 tetrahedra, and edges with two equivalent In(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one S(9), two equivalent S(11), and two equivalent S(15) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one S(10), two equivalent S(12), and two equivalent S(16) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one S(11), two equivalent S(13), and two equivalent S(9) atoms. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one S(12), two equivalent S(10), and two equivalent S(14) atoms. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent In(7) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent In(8) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(8) and two equivalent In(5) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(7) and two equivalent In(6) atoms. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one In(1), two equivalent In(8), and one Ga(1) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(2), one In(9), and two equivalent In(7) atoms. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one In(3), two equivalent In(6), and one Ga(3) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one In(4), two equivalent In(5), and one Ga(2) atom. In the ninth S site, S(9) is bonded to two equivalent In(3), one Bi(1), and two equivalent Bi(3) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the tenth S site, S(10) is bonded to two equivalent In(4), one Bi(2), and two equivalent Bi(4) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the eleventh S site, S(11) is bonded to two equivalent In(1), one Bi(3), and two equivalent Bi(1) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the twelfth S site, S(12) is bonded to two equivalent In(2), one Bi(4), and two equivalent Bi(2) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent Bi(3) atoms. In the fourteenth S site, S(14) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent Bi(4) atoms. In the fifteenth S site, S(15) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent Bi(1) atoms. In the sixteenth S site, S(16) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent Bi(2) atoms. In the seventeenth S site, S(17) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Ga(2) atoms. In the eighteenth S site, S(18) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent Ga(3) atoms. In the nineteenth S site, S(19) is bonded in a distorted T-shaped geometry to one In(7) and two equivalent In(9) atoms. In the twentieth S site, S(20) is bonded in a distorted T-shaped geometry to one In(8) and two equivalent Ga(1) atoms. In the twenty-first S site, S(21) is bonded in a trigonal non-coplanar geometry to one In(9) and two equivalent In(3) atoms. In the twenty-second S site, S(22) is bonded in a trigonal non-coplanar geometry to two equivalent In(4) and one Ga(1) atom. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to two equivalent In(1) and one Ga(2) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to two equivalent In(2) and one Ga(3) atom. is represented by the CIF card [CIF]
data_In9Ga3(BiS6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   20.473
_cell_length_c   12.599
_cell_angle_alpha   83.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   995.724
_cell_formula_units_Z   1
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  0.750  0.128  0.096  1.0
  In  In1  1  0.750  0.628  0.596  1.0
  In  In2  1  0.250  0.371  0.398  1.0
  In  In3  1  0.250  0.872  0.904  1.0
  In  In4  1  0.750  0.025  0.618  1.0
  In  In5  1  0.750  0.526  0.117  1.0
  In  In6  1  0.250  0.476  0.885  1.0
  In  In7  1  0.250  0.975  0.382  1.0
  In  In8  1  0.750  0.414  0.676  1.0
  Ga  Ga9  1  0.750  0.917  0.178  1.0
  Ga  Ga10  1  0.250  0.083  0.822  1.0
  Ga  Ga11  1  0.250  0.583  0.322  1.0
  Bi  Bi12  1  0.750  0.204  0.406  1.0
  Bi  Bi13  1  0.750  0.705  0.906  1.0
  Bi  Bi14  1  0.250  0.295  0.093  1.0
  Bi  Bi15  1  0.250  0.795  0.594  1.0
  S  S16  1  0.750  0.423  0.011  1.0
  S  S17  1  0.750  0.923  0.509  1.0
  S  S18  1  0.250  0.078  0.490  1.0
  S  S19  1  0.250  0.579  0.992  1.0
  S  S20  1  0.750  0.020  0.245  1.0
  S  S21  1  0.750  0.524  0.751  1.0
  S  S22  1  0.250  0.481  0.252  1.0
  S  S23  1  0.250  0.980  0.755  1.0
  S  S24  1  0.750  0.319  0.279  1.0
  S  S25  1  0.750  0.822  0.783  1.0
  S  S26  1  0.250  0.179  0.218  1.0
  S  S27  1  0.250  0.680  0.717  1.0
  S  S28  1  0.750  0.242  0.981  1.0
  S  S29  1  0.750  0.743  0.481  1.0
  S  S30  1  0.250  0.258  0.518  1.0
  S  S31  1  0.250  0.757  0.019  1.0
  S  S32  1  0.750  0.129  0.738  1.0
  S  S33  1  0.750  0.629  0.239  1.0
  S  S34  1  0.250  0.365  0.780  1.0
  S  S35  1  0.250  0.871  0.262  1.0
  S  S36  1  0.750  0.431  0.481  1.0
  S  S37  1  0.750  0.928  0.995  1.0
  S  S38  1  0.250  0.072  0.004  1.0
  S  S39  1  0.250  0.572  0.505  1.0
[/CIF]
.
The material described by In9Ga3(BiS6)4 crystallizes in the monoclinic Pm space group. There are nine inequivalent In sites. In the first In site, In(1) is bonded to one S(13), one S(5), two equivalent S(11), and two equivalent S(23) atoms to form InS6 octahedra that share corners with two equivalent In(8)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second In site, In(2) is bonded to one S(14), one S(6), two equivalent S(12), and two equivalent S(24) atoms to form InS6 octahedra that share corners with two equivalent In(7)S6 octahedra,  a cornercorner with one In(9)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and edges with two equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third In site, In(3) is bonded to one S(15), one S(7), two equivalent S(21), and two equivalent S(9) atoms to form InS6 octahedra that share corners with two equivalent In(6)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra, corners with two equivalent In(9)S4 tetrahedra, and edges with two equivalent In(3)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth In site, In(4) is bonded to one S(16), one S(8), two equivalent S(10), and two equivalent S(22) atoms to form InS6 octahedra that share corners with two equivalent In(5)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth In site, In(5) is bonded to one S(17), one S(2), two equivalent S(3), and two equivalent S(8) atoms to form InS6 octahedra that share corners with two equivalent In(4)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and edges with two equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the sixth In site, In(6) is bonded to one S(1), one S(18), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(3)S6 octahedra, edges with two equivalent In(6)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and edges with two equivalent Ga(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh In site, In(7) is bonded to one S(19), one S(4), two equivalent S(1), and two equivalent S(6) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, edges with two equivalent In(6)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and edges with two equivalent In(9)S4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the eighth In site, In(8) is bonded to one S(20), one S(3), two equivalent S(2), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and edges with two equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the ninth In site, In(9) is bonded to one S(21), one S(6), and two equivalent S(19) atoms to form InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(3)S6 octahedra, corners with two equivalent In(9)S4 tetrahedra, and edges with two equivalent In(7)S6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(22), one S(5), and two equivalent S(20) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(4)S6 octahedra, corners with two equivalent Ga(1)S4 tetrahedra, and edges with two equivalent In(8)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the second Ga site, Ga(2) is bonded to one S(23), one S(8), and two equivalent S(17) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(4)S6 octahedra, corners with two equivalent In(1)S6 octahedra, corners with two equivalent Ga(2)S4 tetrahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the third Ga site, Ga(3) is bonded to one S(24), one S(7), and two equivalent S(18) atoms to form GaS4 tetrahedra that share  a cornercorner with one In(3)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Ga(3)S4 tetrahedra, and edges with two equivalent In(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one S(9), two equivalent S(11), and two equivalent S(15) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one S(10), two equivalent S(12), and two equivalent S(16) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one S(11), two equivalent S(13), and two equivalent S(9) atoms. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one S(12), two equivalent S(10), and two equivalent S(14) atoms. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent In(7) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent In(8) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(8) and two equivalent In(5) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(7) and two equivalent In(6) atoms. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one In(1), two equivalent In(8), and one Ga(1) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(2), one In(9), and two equivalent In(7) atoms. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one In(3), two equivalent In(6), and one Ga(3) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one In(4), two equivalent In(5), and one Ga(2) atom. In the ninth S site, S(9) is bonded to two equivalent In(3), one Bi(1), and two equivalent Bi(3) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the tenth S site, S(10) is bonded to two equivalent In(4), one Bi(2), and two equivalent Bi(4) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the eleventh S site, S(11) is bonded to two equivalent In(1), one Bi(3), and two equivalent Bi(1) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the twelfth S site, S(12) is bonded to two equivalent In(2), one Bi(4), and two equivalent Bi(2) atoms to form distorted edge-sharing SIn2Bi3 square pyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent Bi(3) atoms. In the fourteenth S site, S(14) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent Bi(4) atoms. In the fifteenth S site, S(15) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent Bi(1) atoms. In the sixteenth S site, S(16) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent Bi(2) atoms. In the seventeenth S site, S(17) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Ga(2) atoms. In the eighteenth S site, S(18) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent Ga(3) atoms. In the nineteenth S site, S(19) is bonded in a distorted T-shaped geometry to one In(7) and two equivalent In(9) atoms. In the twentieth S site, S(20) is bonded in a distorted T-shaped geometry to one In(8) and two equivalent Ga(1) atoms. In the twenty-first S site, S(21) is bonded in a trigonal non-coplanar geometry to one In(9) and two equivalent In(3) atoms. In the twenty-second S site, S(22) is bonded in a trigonal non-coplanar geometry to two equivalent In(4) and one Ga(1) atom. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to two equivalent In(1) and one Ga(2) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to two equivalent In(2) and one Ga(3) atom. is represented by the CIF card [CIF]
data_In9Ga3(BiS6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   20.473
_cell_length_c   12.599
_cell_angle_alpha   83.637
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   995.724
_cell_formula_units_Z   1
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  0.750  0.128  0.096  1.0
  In  In1  1  0.750  0.628  0.596  1.0
  In  In2  1  0.250  0.371  0.398  1.0
  In  In3  1  0.250  0.872  0.904  1.0
  In  In4  1  0.750  0.025  0.618  1.0
  In  In5  1  0.750  0.526  0.117  1.0
  In  In6  1  0.250  0.476  0.885  1.0
  In  In7  1  0.250  0.975  0.382  1.0
  In  In8  1  0.750  0.414  0.676  1.0
  Ga  Ga9  1  0.750  0.917  0.178  1.0
  Ga  Ga10  1  0.250  0.083  0.822  1.0
  Ga  Ga11  1  0.250  0.583  0.322  1.0
  Bi  Bi12  1  0.750  0.204  0.406  1.0
  Bi  Bi13  1  0.750  0.705  0.906  1.0
  Bi  Bi14  1  0.250  0.295  0.093  1.0
  Bi  Bi15  1  0.250  0.795  0.594  1.0
  S  S16  1  0.750  0.423  0.011  1.0
  S  S17  1  0.750  0.923  0.509  1.0
  S  S18  1  0.250  0.078  0.490  1.0
  S  S19  1  0.250  0.579  0.992  1.0
  S  S20  1  0.750  0.020  0.245  1.0
  S  S21  1  0.750  0.524  0.751  1.0
  S  S22  1  0.250  0.481  0.252  1.0
  S  S23  1  0.250  0.980  0.755  1.0
  S  S24  1  0.750  0.319  0.279  1.0
  S  S25  1  0.750  0.822  0.783  1.0
  S  S26  1  0.250  0.179  0.218  1.0
  S  S27  1  0.250  0.680  0.717  1.0
  S  S28  1  0.750  0.242  0.981  1.0
  S  S29  1  0.750  0.743  0.481  1.0
  S  S30  1  0.250  0.258  0.518  1.0
  S  S31  1  0.250  0.757  0.019  1.0
  S  S32  1  0.750  0.129  0.738  1.0
  S  S33  1  0.750  0.629  0.239  1.0
  S  S34  1  0.250  0.365  0.780  1.0
  S  S35  1  0.250  0.871  0.262  1.0
  S  S36  1  0.750  0.431  0.481  1.0
  S  S37  1  0.750  0.928  0.995  1.0
  S  S38  1  0.250  0.072  0.004  1.0
  S  S39  1  0.250  0.572  0.505  1.0
[/CIF]
.