The crystal structure described by In5(BiS4)3 crystallizes in the triclinic P1 space group. There are ten inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), two equivalent S(13), and two equivalent S(14) atoms to form InS6 octahedra that share  a cornercorner with one In(10)S6 octahedra,  a cornercorner with one In(9)S6 octahedra, edges with two equivalent In(1)S6 octahedra, edges with two equivalent Bi(5)S5 square pyramids, and edges with two equivalent Bi(6)S5 square pyramids. The corner-sharing octahedral tilt angles range from 51-52°. In the second In site, In(2) is bonded to one S(3), one S(4), two equivalent S(11), and two equivalent S(12) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third In site, In(3) is bonded to one S(22), one S(7), two equivalent S(15), and two equivalent S(21) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fourth In site, In(4) is bonded to one S(21), one S(8), two equivalent S(16), and two equivalent S(22) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fifth In site, In(5) is bonded to one S(11), one S(16), two equivalent S(19), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the sixth In site, In(6) is bonded to one S(12), one S(15), two equivalent S(20), and two equivalent S(3) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the seventh In site, In(7) is bonded to one S(15), one S(23), two equivalent S(5), and two equivalent S(7) atoms to form InS6 octahedra that share  a cornercorner with one In(6)S6 octahedra, corners with two equivalent Bi(5)S5 square pyramids, edges with two equivalent In(3)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and  an edgeedge with one Bi(5)S5 square pyramid. The corner-sharing octahedral tilt angles are 47°. In the eighth In site, In(8) is bonded to one S(16), one S(24), two equivalent S(6), and two equivalent S(8) atoms to form InS6 octahedra that share  a cornercorner with one In(5)S6 octahedra, corners with two equivalent Bi(6)S5 square pyramids, edges with two equivalent In(4)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and  an edgeedge with one Bi(6)S5 square pyramid. The corner-sharing octahedral tilt angles are 49°. In the ninth In site, In(9) is bonded to one S(1), one S(19), two equivalent S(11), and two equivalent S(9) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(5)S5 square pyramids,  an edgeedge with one In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, and edges with two equivalent In(9)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-52°. In the tenth In site, In(10) is bonded to one S(2), one S(20), two equivalent S(10), and two equivalent S(12) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(6)S5 square pyramids,  an edgeedge with one In(2)S6 octahedra, edges with two equivalent In(10)S6 octahedra, and edges with two equivalent In(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one S(18), one S(5), and two equivalent S(23) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one S(17), one S(6), and two equivalent S(24) atoms. In the third Bi site, Bi(3) is bonded in a 3-coordinate geometry to one S(9) and two equivalent S(17) atoms. In the fourth Bi site, Bi(4) is bonded in a 3-coordinate geometry to one S(10) and two equivalent S(18) atoms. In the fifth Bi site, Bi(5) is bonded to one S(13), two equivalent S(1), and two equivalent S(5) atoms to form BiS5 square pyramids that share corners with two equivalent In(7)S6 octahedra, corners with two equivalent In(9)S6 octahedra,  an edgeedge with one In(7)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Bi(5)S5 square pyramids. The corner-sharing octahedral tilt angles range from 19-60°. In the sixth Bi site, Bi(6) is bonded to one S(14), two equivalent S(2), and two equivalent S(6) atoms to form BiS5 square pyramids that share corners with two equivalent In(10)S6 octahedra, corners with two equivalent In(8)S6 octahedra,  an edgeedge with one In(8)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Bi(6)S5 square pyramids. The corner-sharing octahedral tilt angles range from 20-60°. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(1), one In(9), and two equivalent Bi(5) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one In(1), one In(10), and two equivalent Bi(6) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(6) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(5) atoms. In the fifth S site, S(5) is bonded to two equivalent In(7), one Bi(1), and two equivalent Bi(5) atoms to form edge-sharing SIn2Bi3 trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent In(8), one Bi(2), and two equivalent Bi(6) atoms to form distorted edge-sharing SIn2Bi3 trigonal bipyramids. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(7) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent In(8) atoms. In the ninth S site, S(9) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(9) and one Bi(3) atom. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(10) and one Bi(4) atom. In the eleventh S site, S(11) is bonded to one In(5), two equivalent In(2), and two equivalent In(9) atoms to form a mixture of edge and corner-sharing SIn5 square pyramids. In the twelfth S site, S(12) is bonded to one In(6), two equivalent In(10), and two equivalent In(2) atoms to form a mixture of edge and corner-sharing SIn5 square pyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Bi(5) atom. In the fourteenth S site, S(14) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Bi(6) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one In(6), one In(7), and two equivalent In(3) atoms. In the sixteenth S site, S(16) is bonded in a rectangular see-saw-like geometry to one In(5), one In(8), and two equivalent In(4) atoms. In the seventeenth S site, S(17) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. In the eighteenth S site, S(18) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(4) atoms. In the nineteenth S site, S(19) is bonded in a 3-coordinate geometry to one In(9) and two equivalent In(5) atoms. In the twentieth S site, S(20) is bonded in a 3-coordinate geometry to one In(10) and two equivalent In(6) atoms. In the twenty-first S site, S(21) is bonded in a 3-coordinate geometry to one In(4) and two equivalent In(3) atoms. In the twenty-second S site, S(22) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(4) atoms. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one In(7) and two equivalent Bi(1) atoms. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to one In(8) and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_In5(BiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.873
_cell_length_b   16.873
_cell_length_c   14.566
_cell_angle_alpha   89.427
_cell_angle_beta   89.427
_cell_angle_gamma   13.346
_symmetry_Int_Tables_number   1
_cell_volume   957.144
_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  0.996  0.003  0.003  1.0
  In  In1  1  0.998  0.003  0.503  1.0
  In  In2  1  0.786  0.778  0.417  1.0
  In  In3  1  0.206  0.226  0.583  1.0
  In  In4  1  0.597  0.599  0.500  1.0
  In  In5  1  0.404  0.400  0.493  1.0
  In  In6  1  0.314  0.339  0.219  1.0
  In  In7  1  0.669  0.676  0.782  1.0
  In  In8  1  0.059  0.084  0.278  1.0
  In  In9  1  0.934  0.925  0.721  1.0
  Bi  Bi10  1  0.855  0.876  0.984  1.0
  Bi  Bi11  1  0.134  0.136  0.018  1.0
  Bi  Bi12  1  0.678  0.681  0.265  1.0
  Bi  Bi13  1  0.318  0.323  0.735  1.0
  Bi  Bi14  1  0.457  0.439  0.208  1.0
  Bi  Bi15  1  0.542  0.562  0.790  1.0
  S  S16  1  0.999  0.012  0.179  1.0
  S  S17  1  0.993  0.992  0.818  1.0
  S  S18  1  0.929  0.946  0.404  1.0
  S  S19  1  0.066  0.056  0.596  1.0
  S  S20  1  0.873  0.898  0.180  1.0
  S  S21  1  0.127  0.102  0.820  1.0
  S  S22  1  0.766  0.790  0.240  1.0
  S  S23  1  0.235  0.210  0.762  1.0
  S  S24  1  0.598  0.612  0.190  1.0
  S  S25  1  0.394  0.396  0.810  1.0
  S  S26  1  0.540  0.530  0.397  1.0
  S  S27  1  0.470  0.459  0.604  1.0
  S  S28  1  0.435  0.458  0.027  1.0
  S  S29  1  0.566  0.541  0.974  1.0
  S  S30  1  0.336  0.343  0.398  1.0
  S  S31  1  0.657  0.669  0.600  1.0
  S  S32  1  0.202  0.188  0.145  1.0
  S  S33  1  0.802  0.806  0.850  1.0
  S  S34  1  0.129  0.127  0.397  1.0
  S  S35  1  0.868  0.879  0.607  1.0
  S  S36  1  0.220  0.237  0.411  1.0
  S  S37  1  0.760  0.785  0.591  1.0
  S  S38  1  0.310  0.326  0.039  1.0
  S  S39  1  0.674  0.690  0.960  1.0
[/CIF]
.
The crystal structure described by In5(BiS4)3 crystallizes in the triclinic P1 space group. There are ten inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), two equivalent S(13), and two equivalent S(14) atoms to form InS6 octahedra that share  a cornercorner with one In(10)S6 octahedra,  a cornercorner with one In(9)S6 octahedra, edges with two equivalent In(1)S6 octahedra, edges with two equivalent Bi(5)S5 square pyramids, and edges with two equivalent Bi(6)S5 square pyramids. The corner-sharing octahedral tilt angles range from 51-52°. In the second In site, In(2) is bonded to one S(3), one S(4), two equivalent S(11), and two equivalent S(12) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third In site, In(3) is bonded to one S(22), one S(7), two equivalent S(15), and two equivalent S(21) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fourth In site, In(4) is bonded to one S(21), one S(8), two equivalent S(16), and two equivalent S(22) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the fifth In site, In(5) is bonded to one S(11), one S(16), two equivalent S(19), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the sixth In site, In(6) is bonded to one S(12), one S(15), two equivalent S(20), and two equivalent S(3) atoms to form a mixture of edge and corner-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the seventh In site, In(7) is bonded to one S(15), one S(23), two equivalent S(5), and two equivalent S(7) atoms to form InS6 octahedra that share  a cornercorner with one In(6)S6 octahedra, corners with two equivalent Bi(5)S5 square pyramids, edges with two equivalent In(3)S6 octahedra, edges with two equivalent In(7)S6 octahedra, and  an edgeedge with one Bi(5)S5 square pyramid. The corner-sharing octahedral tilt angles are 47°. In the eighth In site, In(8) is bonded to one S(16), one S(24), two equivalent S(6), and two equivalent S(8) atoms to form InS6 octahedra that share  a cornercorner with one In(5)S6 octahedra, corners with two equivalent Bi(6)S5 square pyramids, edges with two equivalent In(4)S6 octahedra, edges with two equivalent In(8)S6 octahedra, and  an edgeedge with one Bi(6)S5 square pyramid. The corner-sharing octahedral tilt angles are 49°. In the ninth In site, In(9) is bonded to one S(1), one S(19), two equivalent S(11), and two equivalent S(9) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(5)S5 square pyramids,  an edgeedge with one In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, and edges with two equivalent In(9)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-52°. In the tenth In site, In(10) is bonded to one S(2), one S(20), two equivalent S(10), and two equivalent S(12) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent Bi(6)S5 square pyramids,  an edgeedge with one In(2)S6 octahedra, edges with two equivalent In(10)S6 octahedra, and edges with two equivalent In(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 4-51°. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one S(18), one S(5), and two equivalent S(23) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one S(17), one S(6), and two equivalent S(24) atoms. In the third Bi site, Bi(3) is bonded in a 3-coordinate geometry to one S(9) and two equivalent S(17) atoms. In the fourth Bi site, Bi(4) is bonded in a 3-coordinate geometry to one S(10) and two equivalent S(18) atoms. In the fifth Bi site, Bi(5) is bonded to one S(13), two equivalent S(1), and two equivalent S(5) atoms to form BiS5 square pyramids that share corners with two equivalent In(7)S6 octahedra, corners with two equivalent In(9)S6 octahedra,  an edgeedge with one In(7)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Bi(5)S5 square pyramids. The corner-sharing octahedral tilt angles range from 19-60°. In the sixth Bi site, Bi(6) is bonded to one S(14), two equivalent S(2), and two equivalent S(6) atoms to form BiS5 square pyramids that share corners with two equivalent In(10)S6 octahedra, corners with two equivalent In(8)S6 octahedra,  an edgeedge with one In(8)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent Bi(6)S5 square pyramids. The corner-sharing octahedral tilt angles range from 20-60°. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one In(1), one In(9), and two equivalent Bi(5) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one In(1), one In(10), and two equivalent Bi(6) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(6) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one In(2) and two equivalent In(5) atoms. In the fifth S site, S(5) is bonded to two equivalent In(7), one Bi(1), and two equivalent Bi(5) atoms to form edge-sharing SIn2Bi3 trigonal bipyramids. In the sixth S site, S(6) is bonded to two equivalent In(8), one Bi(2), and two equivalent Bi(6) atoms to form distorted edge-sharing SIn2Bi3 trigonal bipyramids. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(7) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent In(8) atoms. In the ninth S site, S(9) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(9) and one Bi(3) atom. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent In(10) and one Bi(4) atom. In the eleventh S site, S(11) is bonded to one In(5), two equivalent In(2), and two equivalent In(9) atoms to form a mixture of edge and corner-sharing SIn5 square pyramids. In the twelfth S site, S(12) is bonded to one In(6), two equivalent In(10), and two equivalent In(2) atoms to form a mixture of edge and corner-sharing SIn5 square pyramids. In the thirteenth S site, S(13) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Bi(5) atom. In the fourteenth S site, S(14) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Bi(6) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one In(6), one In(7), and two equivalent In(3) atoms. In the sixteenth S site, S(16) is bonded in a rectangular see-saw-like geometry to one In(5), one In(8), and two equivalent In(4) atoms. In the seventeenth S site, S(17) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. In the eighteenth S site, S(18) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(4) atoms. In the nineteenth S site, S(19) is bonded in a 3-coordinate geometry to one In(9) and two equivalent In(5) atoms. In the twentieth S site, S(20) is bonded in a 3-coordinate geometry to one In(10) and two equivalent In(6) atoms. In the twenty-first S site, S(21) is bonded in a 3-coordinate geometry to one In(4) and two equivalent In(3) atoms. In the twenty-second S site, S(22) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(4) atoms. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one In(7) and two equivalent Bi(1) atoms. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to one In(8) and two equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_In5(BiS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.873
_cell_length_b   16.873
_cell_length_c   14.566
_cell_angle_alpha   89.427
_cell_angle_beta   89.427
_cell_angle_gamma   13.346
_symmetry_Int_Tables_number   1
_cell_volume   957.144
_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  0.996  0.003  0.003  1.0
  In  In1  1  0.998  0.003  0.503  1.0
  In  In2  1  0.786  0.778  0.417  1.0
  In  In3  1  0.206  0.226  0.583  1.0
  In  In4  1  0.597  0.599  0.500  1.0
  In  In5  1  0.404  0.400  0.493  1.0
  In  In6  1  0.314  0.339  0.219  1.0
  In  In7  1  0.669  0.676  0.782  1.0
  In  In8  1  0.059  0.084  0.278  1.0
  In  In9  1  0.934  0.925  0.721  1.0
  Bi  Bi10  1  0.855  0.876  0.984  1.0
  Bi  Bi11  1  0.134  0.136  0.018  1.0
  Bi  Bi12  1  0.678  0.681  0.265  1.0
  Bi  Bi13  1  0.318  0.323  0.735  1.0
  Bi  Bi14  1  0.457  0.439  0.208  1.0
  Bi  Bi15  1  0.542  0.562  0.790  1.0
  S  S16  1  0.999  0.012  0.179  1.0
  S  S17  1  0.993  0.992  0.818  1.0
  S  S18  1  0.929  0.946  0.404  1.0
  S  S19  1  0.066  0.056  0.596  1.0
  S  S20  1  0.873  0.898  0.180  1.0
  S  S21  1  0.127  0.102  0.820  1.0
  S  S22  1  0.766  0.790  0.240  1.0
  S  S23  1  0.235  0.210  0.762  1.0
  S  S24  1  0.598  0.612  0.190  1.0
  S  S25  1  0.394  0.396  0.810  1.0
  S  S26  1  0.540  0.530  0.397  1.0
  S  S27  1  0.470  0.459  0.604  1.0
  S  S28  1  0.435  0.458  0.027  1.0
  S  S29  1  0.566  0.541  0.974  1.0
  S  S30  1  0.336  0.343  0.398  1.0
  S  S31  1  0.657  0.669  0.600  1.0
  S  S32  1  0.202  0.188  0.145  1.0
  S  S33  1  0.802  0.806  0.850  1.0
  S  S34  1  0.129  0.127  0.397  1.0
  S  S35  1  0.868  0.879  0.607  1.0
  S  S36  1  0.220  0.237  0.411  1.0
  S  S37  1  0.760  0.785  0.591  1.0
  S  S38  1  0.310  0.326  0.039  1.0
  S  S39  1  0.674  0.690  0.960  1.0
[/CIF]
.