The crystal structure described by In6Sn8S19 crystallizes in the triclinic P1 space group. There are six inequivalent In sites. In the first In site, In(1) is bonded to one S(17), one S(6), two equivalent S(3), and two equivalent S(9) atoms to form InS6 octahedra that share  a cornercorner with one In(2)S6 octahedra,  a cornercorner with one In(6)S6 octahedra, corners with two equivalent Sn(5)S6 octahedra, edges with two equivalent In(1)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the second In site, In(2) is bonded to one S(17), one S(5), two equivalent S(10), and two equivalent S(4) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra,  a cornercorner with one Sn(6)S6 octahedra, corners with two equivalent In(5)S6 octahedra, edges with two equivalent In(2)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third In site, In(3) is bonded to one S(4), one S(9), two equivalent S(14), and two equivalent S(17) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth In site, In(4) is bonded to one S(10), one S(3), two equivalent S(13), and two equivalent S(17) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth In site, In(5) is bonded to one S(2), one S(8), two equivalent S(5), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent Sn(5)S6 octahedra, and edges with two equivalent Sn(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the sixth In site, In(6) is bonded to one S(19), one S(6), two equivalent S(1), and two equivalent S(11) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, edges with two equivalent In(6)S6 octahedra, and edges with two equivalent Sn(5)S6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one S(11) and two equivalent S(19) atoms. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one S(12), two equivalent S(11), and two equivalent S(18) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one S(14) and two equivalent S(16) atoms. In the fourth Sn site, Sn(4) is bonded in a 3-coordinate geometry to one S(13) and two equivalent S(15) atoms. In the fifth Sn site, Sn(5) is bonded to one S(1), one S(7), two equivalent S(6), and two equivalent S(8) atoms to form SnS6 octahedra that share corners with two equivalent In(1)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(6)S6 octahedra, and edges with two equivalent Sn(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the sixth Sn site, Sn(6) is bonded to one S(18), one S(5), two equivalent S(12), and two equivalent S(2) atoms to form SnS6 octahedra that share  a cornercorner with one In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, and edges with two equivalent Sn(6)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Sn site, Sn(7) is bonded in a 3-coordinate geometry to one S(13), one S(15), one S(16), and one S(19) atom. In the eighth Sn site, Sn(8) is bonded in a 4-coordinate geometry to one S(14), one S(15), one S(16), and one S(18) atom. There are nineteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent In(6) and one Sn(5) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Sn(6) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(4) and two equivalent In(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(2) atoms. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one In(2), two equivalent In(5), and one Sn(6) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(1), one In(6), and two equivalent Sn(5) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to two equivalent In(5) and one Sn(5) atom. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Sn(5) atoms. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(1) atoms. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent In(2) atoms. In the eleventh S site, S(11) is bonded to two equivalent In(6), one Sn(1), and two equivalent Sn(2) atoms to form distorted edge-sharing SIn2Sn3 trigonal bipyramids. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Sn(2) and two equivalent Sn(6) atoms. In the thirteenth S site, S(13) is bonded to two equivalent In(4), one Sn(4), and one Sn(7) atom to form distorted SIn2Sn2 trigonal pyramids that share corners with two equivalent S(17)In6 octahedra, corners with two equivalent S(13)In2Sn2 trigonal pyramids, and  an edgeedge with one S(17)In6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fourteenth S site, S(14) is bonded to two equivalent In(3), one Sn(3), and one Sn(8) atom to form distorted SIn2Sn2 trigonal pyramids that share corners with two equivalent S(17)In6 octahedra, corners with two equivalent S(14)In2Sn2 trigonal pyramids, and  an edgeedge with one S(17)In6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fifteenth S site, S(15) is bonded in a 4-coordinate geometry to one Sn(7), one Sn(8), and two equivalent Sn(4) atoms. In the sixteenth S site, S(16) is bonded in a 4-coordinate geometry to one Sn(7), one Sn(8), and two equivalent Sn(3) atoms. In the seventeenth S site, S(17) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form SIn6 octahedra that share corners with two equivalent S(13)In2Sn2 trigonal pyramids, corners with two equivalent S(14)In2Sn2 trigonal pyramids, edges with two equivalent S(17)In6 octahedra,  an edgeedge with one S(13)In2Sn2 trigonal pyramid, and  an edgeedge with one S(14)In2Sn2 trigonal pyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one Sn(6), one Sn(8), and two equivalent Sn(2) atoms. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one In(6), one Sn(7), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In6Sn8S19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   15.065
_cell_length_c   15.096
_cell_angle_alpha   62.501
_cell_angle_beta   83.308
_cell_angle_gamma   82.839
_symmetry_Int_Tables_number   1
_cell_volume   771.824
_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  0.395  0.077  0.135  1.0
  In  In1  1  0.605  0.922  0.865  1.0
  In  In2  1  0.986  0.145  0.884  1.0
  In  In3  1  0.014  0.854  0.116  1.0
  In  In4  1  0.257  0.892  0.595  1.0
  In  In5  1  0.209  0.345  0.234  1.0
  Sn  Sn6  1  0.672  0.597  0.070  1.0
  Sn  Sn7  1  0.326  0.399  0.939  1.0
  Sn  Sn8  1  0.576  0.226  0.618  1.0
  Sn  Sn9  1  0.423  0.776  0.380  1.0
  Sn  Sn10  1  0.743  0.108  0.406  1.0
  Sn  Sn11  1  0.791  0.654  0.764  1.0
  Sn  Sn12  1  0.644  0.532  0.367  1.0
  Sn  Sn13  1  0.356  0.470  0.632  1.0
  S  S14  1  0.673  0.294  0.366  1.0
  S  S15  1  0.328  0.699  0.635  1.0
  S  S16  1  0.919  0.945  0.227  1.0
  S  S17  1  0.082  0.052  0.773  1.0
  S  S18  1  0.716  0.842  0.734  1.0
  S  S19  1  0.286  0.151  0.270  1.0
  S  S20  1  0.803  0.921  0.464  1.0
  S  S21  1  0.197  0.086  0.533  1.0
  S  S22  1  0.888  0.198  0.027  1.0
  S  S23  1  0.112  0.802  0.975  1.0
  S  S24  1  0.750  0.406  0.094  1.0
  S  S25  1  0.253  0.599  0.899  1.0
  S  S26  1  0.527  0.738  0.221  1.0
  S  S27  1  0.473  0.263  0.780  1.0
  S  S28  1  0.965  0.628  0.449  1.0
  S  S29  1  0.036  0.372  0.550  1.0
  S  S30  1  0.499  0.001  0.999  1.0
  S  S31  1  0.865  0.473  0.784  1.0
  S  S32  1  0.133  0.530  0.216  1.0
[/CIF]
.
The crystal structure described by In6Sn8S19 crystallizes in the triclinic P1 space group. There are six inequivalent In sites. In the first In site, In(1) is bonded to one S(17), one S(6), two equivalent S(3), and two equivalent S(9) atoms to form InS6 octahedra that share  a cornercorner with one In(2)S6 octahedra,  a cornercorner with one In(6)S6 octahedra, corners with two equivalent Sn(5)S6 octahedra, edges with two equivalent In(1)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the second In site, In(2) is bonded to one S(17), one S(5), two equivalent S(10), and two equivalent S(4) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra,  a cornercorner with one Sn(6)S6 octahedra, corners with two equivalent In(5)S6 octahedra, edges with two equivalent In(2)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with two equivalent In(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third In site, In(3) is bonded to one S(4), one S(9), two equivalent S(14), and two equivalent S(17) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth In site, In(4) is bonded to one S(10), one S(3), two equivalent S(13), and two equivalent S(17) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fifth In site, In(5) is bonded to one S(2), one S(8), two equivalent S(5), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent Sn(5)S6 octahedra, and edges with two equivalent Sn(6)S6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the sixth In site, In(6) is bonded to one S(19), one S(6), two equivalent S(1), and two equivalent S(11) atoms to form InS6 octahedra that share  a cornercorner with one In(1)S6 octahedra, edges with two equivalent In(6)S6 octahedra, and edges with two equivalent Sn(5)S6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one S(11) and two equivalent S(19) atoms. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to one S(12), two equivalent S(11), and two equivalent S(18) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one S(14) and two equivalent S(16) atoms. In the fourth Sn site, Sn(4) is bonded in a 3-coordinate geometry to one S(13) and two equivalent S(15) atoms. In the fifth Sn site, Sn(5) is bonded to one S(1), one S(7), two equivalent S(6), and two equivalent S(8) atoms to form SnS6 octahedra that share corners with two equivalent In(1)S6 octahedra, edges with two equivalent In(5)S6 octahedra, edges with two equivalent In(6)S6 octahedra, and edges with two equivalent Sn(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the sixth Sn site, Sn(6) is bonded to one S(18), one S(5), two equivalent S(12), and two equivalent S(2) atoms to form SnS6 octahedra that share  a cornercorner with one In(2)S6 octahedra, edges with two equivalent In(5)S6 octahedra, and edges with two equivalent Sn(6)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Sn site, Sn(7) is bonded in a 3-coordinate geometry to one S(13), one S(15), one S(16), and one S(19) atom. In the eighth Sn site, Sn(8) is bonded in a 4-coordinate geometry to one S(14), one S(15), one S(16), and one S(18) atom. There are nineteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent In(6) and one Sn(5) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Sn(6) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(4) and two equivalent In(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(2) atoms. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one In(2), two equivalent In(5), and one Sn(6) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one In(1), one In(6), and two equivalent Sn(5) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to two equivalent In(5) and one Sn(5) atom. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent Sn(5) atoms. In the ninth S site, S(9) is bonded in a distorted T-shaped geometry to one In(3) and two equivalent In(1) atoms. In the tenth S site, S(10) is bonded in a distorted T-shaped geometry to one In(4) and two equivalent In(2) atoms. In the eleventh S site, S(11) is bonded to two equivalent In(6), one Sn(1), and two equivalent Sn(2) atoms to form distorted edge-sharing SIn2Sn3 trigonal bipyramids. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Sn(2) and two equivalent Sn(6) atoms. In the thirteenth S site, S(13) is bonded to two equivalent In(4), one Sn(4), and one Sn(7) atom to form distorted SIn2Sn2 trigonal pyramids that share corners with two equivalent S(17)In6 octahedra, corners with two equivalent S(13)In2Sn2 trigonal pyramids, and  an edgeedge with one S(17)In6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fourteenth S site, S(14) is bonded to two equivalent In(3), one Sn(3), and one Sn(8) atom to form distorted SIn2Sn2 trigonal pyramids that share corners with two equivalent S(17)In6 octahedra, corners with two equivalent S(14)In2Sn2 trigonal pyramids, and  an edgeedge with one S(17)In6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fifteenth S site, S(15) is bonded in a 4-coordinate geometry to one Sn(7), one Sn(8), and two equivalent Sn(4) atoms. In the sixteenth S site, S(16) is bonded in a 4-coordinate geometry to one Sn(7), one Sn(8), and two equivalent Sn(3) atoms. In the seventeenth S site, S(17) is bonded to one In(1), one In(2), two equivalent In(3), and two equivalent In(4) atoms to form SIn6 octahedra that share corners with two equivalent S(13)In2Sn2 trigonal pyramids, corners with two equivalent S(14)In2Sn2 trigonal pyramids, edges with two equivalent S(17)In6 octahedra,  an edgeedge with one S(13)In2Sn2 trigonal pyramid, and  an edgeedge with one S(14)In2Sn2 trigonal pyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one Sn(6), one Sn(8), and two equivalent Sn(2) atoms. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one In(6), one Sn(7), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In6Sn8S19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   15.065
_cell_length_c   15.096
_cell_angle_alpha   62.501
_cell_angle_beta   83.308
_cell_angle_gamma   82.839
_symmetry_Int_Tables_number   1
_cell_volume   771.824
_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  0.395  0.077  0.135  1.0
  In  In1  1  0.605  0.922  0.865  1.0
  In  In2  1  0.986  0.145  0.884  1.0
  In  In3  1  0.014  0.854  0.116  1.0
  In  In4  1  0.257  0.892  0.595  1.0
  In  In5  1  0.209  0.345  0.234  1.0
  Sn  Sn6  1  0.672  0.597  0.070  1.0
  Sn  Sn7  1  0.326  0.399  0.939  1.0
  Sn  Sn8  1  0.576  0.226  0.618  1.0
  Sn  Sn9  1  0.423  0.776  0.380  1.0
  Sn  Sn10  1  0.743  0.108  0.406  1.0
  Sn  Sn11  1  0.791  0.654  0.764  1.0
  Sn  Sn12  1  0.644  0.532  0.367  1.0
  Sn  Sn13  1  0.356  0.470  0.632  1.0
  S  S14  1  0.673  0.294  0.366  1.0
  S  S15  1  0.328  0.699  0.635  1.0
  S  S16  1  0.919  0.945  0.227  1.0
  S  S17  1  0.082  0.052  0.773  1.0
  S  S18  1  0.716  0.842  0.734  1.0
  S  S19  1  0.286  0.151  0.270  1.0
  S  S20  1  0.803  0.921  0.464  1.0
  S  S21  1  0.197  0.086  0.533  1.0
  S  S22  1  0.888  0.198  0.027  1.0
  S  S23  1  0.112  0.802  0.975  1.0
  S  S24  1  0.750  0.406  0.094  1.0
  S  S25  1  0.253  0.599  0.899  1.0
  S  S26  1  0.527  0.738  0.221  1.0
  S  S27  1  0.473  0.263  0.780  1.0
  S  S28  1  0.965  0.628  0.449  1.0
  S  S29  1  0.036  0.372  0.550  1.0
  S  S30  1  0.499  0.001  0.999  1.0
  S  S31  1  0.865  0.473  0.784  1.0
  S  S32  1  0.133  0.530  0.216  1.0
[/CIF]
.