The structure described by Pb6In10S21 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(21), one S(9), two equivalent S(20), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second In site, In(2) is bonded to one S(19), one S(2), two equivalent S(11), and two equivalent S(15) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third In site, In(3) is bonded to one S(20), one S(5), two equivalent S(12), and two equivalent S(21) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the fourth In site, In(4) is bonded to one S(16), one S(7), two equivalent S(4), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fifth In site, In(5) is bonded to one S(10), one S(15), two equivalent S(14), and two equivalent S(19) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the sixth In site, In(6) is bonded to one S(10), one S(12), two equivalent S(13), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the seventh In site, In(7) is bonded to one S(17), one S(6), two equivalent S(16), and two equivalent S(21) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the eighth In site, In(8) is bonded to one S(13), one S(4), two equivalent S(10), and two equivalent S(7) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the ninth In site, In(9) is bonded to one S(13), one S(15), two equivalent S(2), and two equivalent S(8) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the tenth In site, In(10) is bonded to one S(14), one S(8), two equivalent S(15), and two equivalent S(18) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one S(18) and two equivalent S(3) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(11), two equivalent S(2), two equivalent S(7), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one S(11), one S(16), and two equivalent S(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 7-coordinate geometry to one S(18), two equivalent S(14), two equivalent S(17), and two equivalent S(5) atoms. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one S(11), two equivalent S(1), and two equivalent S(9) atoms. In the sixth Pb site, Pb(6) is bonded in a 5-coordinate geometry to one S(18), two equivalent S(17), and two equivalent S(3) atoms. There are twenty-one inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Pb(3) and two equivalent Pb(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one In(2), two equivalent In(9), and two equivalent Pb(2) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(6) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one In(8) and two equivalent In(4) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one In(3), two equivalent In(6), and two equivalent Pb(4) atoms. In the sixth S site, S(6) is bonded to one In(7), two equivalent In(1), and two equivalent In(4) atoms to form edge-sharing SIn5 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one In(4), two equivalent In(8), and two equivalent Pb(2) atoms. In the eighth S site, S(8) is bonded in a distorted trigonal non-coplanar geometry to one In(10) and two equivalent In(9) atoms. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one In(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one In(5), one In(6), and two equivalent In(8) atoms. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent In(2), one Pb(2), one Pb(3), and one Pb(5) atom. In the twelfth S site, S(12) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent In(3) atoms. In the thirteenth S site, S(13) is bonded in a rectangular see-saw-like geometry to one In(8), one In(9), and two equivalent In(6) atoms. In the fourteenth S site, S(14) is bonded in a 3-coordinate geometry to one In(10), two equivalent In(5), and two equivalent Pb(4) atoms. In the fifteenth S site, S(15) is bonded to one In(5), one In(9), two equivalent In(10), and two equivalent In(2) atoms to form edge-sharing SIn6 octahedra. In the sixteenth S site, S(16) is bonded in a 3-coordinate geometry to one In(4), two equivalent In(7), and one Pb(3) atom. In the seventeenth S site, S(17) is bonded in a 5-coordinate geometry to one In(7), two equivalent Pb(4), and two equivalent Pb(6) atoms. In the eighteenth S site, S(18) is bonded in a 5-coordinate geometry to two equivalent In(10), one Pb(1), one Pb(4), and one Pb(6) atom. In the nineteenth S site, S(19) is bonded in a distorted trigonal non-coplanar geometry to one In(2) and two equivalent In(5) atoms. In the twentieth S site, S(20) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(1) atoms. In the twenty-first S site, S(21) is bonded to one In(1), two equivalent In(3), and two equivalent In(7) atoms to form edge-sharing SIn5 square pyramids. is represented by the CIF card [CIF]
data_In10(Pb2S7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   14.132
_cell_length_c   15.922
_cell_angle_alpha   95.322
_cell_angle_beta   90.002
_cell_angle_gamma   97.840
_symmetry_Int_Tables_number   1
_cell_volume   866.778
_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  0.688  0.378  0.485  1.0
  In  In1  1  0.510  0.026  0.129  1.0
  In  In2  1  0.222  0.429  0.692  1.0
  In  In3  1  0.787  0.571  0.306  1.0
  In  In4  1  0.904  0.799  0.018  1.0
  In  In5  1  0.733  0.469  0.893  1.0
  In  In6  1  0.311  0.624  0.514  1.0
  In  In7  1  0.261  0.528  0.106  1.0
  In  In8  1  0.098  0.198  0.981  1.0
  In  In9  1  0.480  0.973  0.871  1.0
  Pb  Pb10  1  0.069  0.148  0.706  1.0
  Pb  Pb11  1  0.128  0.273  0.241  1.0
  Pb  Pb12  1  0.933  0.850  0.296  1.0
  Pb  Pb13  1  0.864  0.723  0.756  1.0
  Pb  Pb14  1  0.046  0.101  0.430  1.0
  Pb  Pb15  1  0.953  0.902  0.570  1.0
  S  S16  1  0.470  0.931  0.408  1.0
  S  S17  1  0.599  0.203  0.096  1.0
  S  S18  1  0.531  0.070  0.592  1.0
  S  S19  1  0.326  0.655  0.236  1.0
  S  S20  1  0.277  0.561  0.812  1.0
  S  S21  1  0.229  0.473  0.402  1.0
  S  S22  1  0.719  0.438  0.188  1.0
  S  S23  1  0.580  0.157  0.873  1.0
  S  S24  1  0.615  0.239  0.368  1.0
  S  S25  1  0.800  0.607  0.023  1.0
  S  S26  1  0.023  0.052  0.236  1.0
  S  S27  1  0.679  0.344  0.761  1.0
  S  S28  1  0.193  0.390  0.976  1.0
  S  S29  1  0.399  0.796  0.903  1.0
  S  S30  1  0.005  0.000  1.000  1.0
  S  S31  1  0.847  0.698  0.434  1.0
  S  S32  1  0.381  0.762  0.632  1.0
  S  S33  1  0.969  0.948  0.764  1.0
  S  S34  1  0.427  0.842  0.125  1.0
  S  S35  1  0.152  0.303  0.564  1.0
  S  S36  1  0.755  0.529  0.598  1.0
[/CIF]
.
The structure described by Pb6In10S21 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(21), one S(9), two equivalent S(20), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second In site, In(2) is bonded to one S(19), one S(2), two equivalent S(11), and two equivalent S(15) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third In site, In(3) is bonded to one S(20), one S(5), two equivalent S(12), and two equivalent S(21) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the fourth In site, In(4) is bonded to one S(16), one S(7), two equivalent S(4), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fifth In site, In(5) is bonded to one S(10), one S(15), two equivalent S(14), and two equivalent S(19) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the sixth In site, In(6) is bonded to one S(10), one S(12), two equivalent S(13), and two equivalent S(5) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the seventh In site, In(7) is bonded to one S(17), one S(6), two equivalent S(16), and two equivalent S(21) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the eighth In site, In(8) is bonded to one S(13), one S(4), two equivalent S(10), and two equivalent S(7) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the ninth In site, In(9) is bonded to one S(13), one S(15), two equivalent S(2), and two equivalent S(8) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the tenth In site, In(10) is bonded to one S(14), one S(8), two equivalent S(15), and two equivalent S(18) atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one S(18) and two equivalent S(3) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(11), two equivalent S(2), two equivalent S(7), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one S(11), one S(16), and two equivalent S(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 7-coordinate geometry to one S(18), two equivalent S(14), two equivalent S(17), and two equivalent S(5) atoms. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one S(11), two equivalent S(1), and two equivalent S(9) atoms. In the sixth Pb site, Pb(6) is bonded in a 5-coordinate geometry to one S(18), two equivalent S(17), and two equivalent S(3) atoms. There are twenty-one inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Pb(3) and two equivalent Pb(5) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one In(2), two equivalent In(9), and two equivalent Pb(2) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(6) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one In(8) and two equivalent In(4) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one In(3), two equivalent In(6), and two equivalent Pb(4) atoms. In the sixth S site, S(6) is bonded to one In(7), two equivalent In(1), and two equivalent In(4) atoms to form edge-sharing SIn5 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one In(4), two equivalent In(8), and two equivalent Pb(2) atoms. In the eighth S site, S(8) is bonded in a distorted trigonal non-coplanar geometry to one In(10) and two equivalent In(9) atoms. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one In(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the tenth S site, S(10) is bonded in a rectangular see-saw-like geometry to one In(5), one In(6), and two equivalent In(8) atoms. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent In(2), one Pb(2), one Pb(3), and one Pb(5) atom. In the twelfth S site, S(12) is bonded in a distorted T-shaped geometry to one In(6) and two equivalent In(3) atoms. In the thirteenth S site, S(13) is bonded in a rectangular see-saw-like geometry to one In(8), one In(9), and two equivalent In(6) atoms. In the fourteenth S site, S(14) is bonded in a 3-coordinate geometry to one In(10), two equivalent In(5), and two equivalent Pb(4) atoms. In the fifteenth S site, S(15) is bonded to one In(5), one In(9), two equivalent In(10), and two equivalent In(2) atoms to form edge-sharing SIn6 octahedra. In the sixteenth S site, S(16) is bonded in a 3-coordinate geometry to one In(4), two equivalent In(7), and one Pb(3) atom. In the seventeenth S site, S(17) is bonded in a 5-coordinate geometry to one In(7), two equivalent Pb(4), and two equivalent Pb(6) atoms. In the eighteenth S site, S(18) is bonded in a 5-coordinate geometry to two equivalent In(10), one Pb(1), one Pb(4), and one Pb(6) atom. In the nineteenth S site, S(19) is bonded in a distorted trigonal non-coplanar geometry to one In(2) and two equivalent In(5) atoms. In the twentieth S site, S(20) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(1) atoms. In the twenty-first S site, S(21) is bonded to one In(1), two equivalent In(3), and two equivalent In(7) atoms to form edge-sharing SIn5 square pyramids. is represented by the CIF card [CIF]
data_In10(Pb2S7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   14.132
_cell_length_c   15.922
_cell_angle_alpha   95.322
_cell_angle_beta   90.002
_cell_angle_gamma   97.840
_symmetry_Int_Tables_number   1
_cell_volume   866.778
_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  0.688  0.378  0.485  1.0
  In  In1  1  0.510  0.026  0.129  1.0
  In  In2  1  0.222  0.429  0.692  1.0
  In  In3  1  0.787  0.571  0.306  1.0
  In  In4  1  0.904  0.799  0.018  1.0
  In  In5  1  0.733  0.469  0.893  1.0
  In  In6  1  0.311  0.624  0.514  1.0
  In  In7  1  0.261  0.528  0.106  1.0
  In  In8  1  0.098  0.198  0.981  1.0
  In  In9  1  0.480  0.973  0.871  1.0
  Pb  Pb10  1  0.069  0.148  0.706  1.0
  Pb  Pb11  1  0.128  0.273  0.241  1.0
  Pb  Pb12  1  0.933  0.850  0.296  1.0
  Pb  Pb13  1  0.864  0.723  0.756  1.0
  Pb  Pb14  1  0.046  0.101  0.430  1.0
  Pb  Pb15  1  0.953  0.902  0.570  1.0
  S  S16  1  0.470  0.931  0.408  1.0
  S  S17  1  0.599  0.203  0.096  1.0
  S  S18  1  0.531  0.070  0.592  1.0
  S  S19  1  0.326  0.655  0.236  1.0
  S  S20  1  0.277  0.561  0.812  1.0
  S  S21  1  0.229  0.473  0.402  1.0
  S  S22  1  0.719  0.438  0.188  1.0
  S  S23  1  0.580  0.157  0.873  1.0
  S  S24  1  0.615  0.239  0.368  1.0
  S  S25  1  0.800  0.607  0.023  1.0
  S  S26  1  0.023  0.052  0.236  1.0
  S  S27  1  0.679  0.344  0.761  1.0
  S  S28  1  0.193  0.390  0.976  1.0
  S  S29  1  0.399  0.796  0.903  1.0
  S  S30  1  0.005  0.000  1.000  1.0
  S  S31  1  0.847  0.698  0.434  1.0
  S  S32  1  0.381  0.762  0.632  1.0
  S  S33  1  0.969  0.948  0.764  1.0
  S  S34  1  0.427  0.842  0.125  1.0
  S  S35  1  0.152  0.303  0.564  1.0
  S  S36  1  0.755  0.529  0.598  1.0
[/CIF]
.