The crystal structure described by Gd3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third Gd site, Gd(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted GdS7 pentagonal bipyramids that share edges with two equivalent In(1)S6 octahedra and edges with two equivalent Gd(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent Gd(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Gd(2), two equivalent Gd(1), and two equivalent Gd(3) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(2)Gd4In square pyramids,  a cornercorner with one S(6)Gd3In2 trigonal bipyramid, corners with two equivalent S(4)Gd5 trigonal bipyramids, corners with four equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(2)Gd4In square pyramid, edges with two equivalent S(6)Gd3In2 trigonal bipyramids, edges with two equivalent S(5)Gd5 trigonal bipyramids, edges with three equivalent S(4)Gd5 trigonal bipyramids, and  an edgeedge with one S(3)Gd3In trigonal pyramid. In the second S site, S(6) is bonded to one Gd(1), one Gd(2), one Gd(3), and two equivalent In(1) atoms to form SGd3In2 trigonal bipyramids that share  a cornercorner with one S(4)Gd5 trigonal bipyramid,  a cornercorner with one S(5)Gd5 trigonal bipyramid, corners with four equivalent S(6)Gd3In2 trigonal bipyramids, corners with three equivalent S(3)Gd3In trigonal pyramids, edges with four equivalent S(2)Gd4In square pyramids,  an edgeedge with one S(6)Gd3In2 trigonal bipyramid, edges with two equivalent S(4)Gd5 trigonal bipyramids, and edges with two equivalent S(5)Gd5 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent Gd(2), two equivalent Gd(3), and one In(1) atom to form SGd4In square pyramids that share  a cornercorner with one S(2)Gd4In square pyramid, corners with four equivalent S(4)Gd5 trigonal bipyramids, corners with four equivalent S(5)Gd5 trigonal bipyramids, corners with two equivalent S(3)Gd3In trigonal pyramids, edges with two equivalent S(2)Gd4In square pyramids,  an edgeedge with one S(4)Gd5 trigonal bipyramid,  an edgeedge with one S(5)Gd5 trigonal bipyramid, and edges with four equivalent S(6)Gd3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Gd(3), two equivalent Gd(1), and one In(2) atom to form SGd3In trigonal pyramids that share corners with two equivalent S(2)Gd4In square pyramids, corners with two equivalent S(4)Gd5 trigonal bipyramids, corners with three equivalent S(6)Gd3In2 trigonal bipyramids, corners with four equivalent S(5)Gd5 trigonal bipyramids, corners with three equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(5)Gd5 trigonal bipyramid, and  a faceface with one S(4)Gd5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Gd(3), two equivalent Gd(1), and two equivalent Gd(2) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(2)Gd4In square pyramids,  a cornercorner with one S(6)Gd3In2 trigonal bipyramid, corners with two equivalent S(5)Gd5 trigonal bipyramids, corners with two equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(2)Gd4In square pyramid, edges with two equivalent S(6)Gd3In2 trigonal bipyramids, edges with two equivalent S(4)Gd5 trigonal bipyramids, edges with three equivalent S(5)Gd5 trigonal bipyramids, and  a faceface with one S(3)Gd3In trigonal pyramid. is represented by the CIF card [CIF]
data_Gd3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.929
_cell_length_b   13.599
_cell_length_c   16.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.932
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.253  0.036  0.777  1.0
  Gd  Gd1  1  0.253  0.964  0.223  1.0
  Gd  Gd2  1  0.747  0.464  0.277  1.0
  Gd  Gd3  1  0.747  0.536  0.723  1.0
  Gd  Gd4  1  0.263  0.247  0.610  1.0
  Gd  Gd5  1  0.263  0.753  0.390  1.0
  Gd  Gd6  1  0.737  0.253  0.110  1.0
  Gd  Gd7  1  0.737  0.747  0.890  1.0
  Gd  Gd8  1  0.750  0.309  0.857  1.0
  Gd  Gd9  1  0.750  0.691  0.143  1.0
  Gd  Gd10  1  0.250  0.191  0.357  1.0
  Gd  Gd11  1  0.250  0.809  0.643  1.0
  In  In12  1  0.753  0.000  0.500  1.0
  In  In13  1  0.247  0.500  0.000  1.0
  In  In14  1  0.392  0.500  0.500  1.0
  In  In15  1  0.608  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.592  1.0
  S  S17  1  0.769  0.603  0.408  1.0
  S  S18  1  0.231  0.103  0.092  1.0
  S  S19  1  0.231  0.897  0.908  1.0
  S  S20  1  0.249  0.308  0.981  1.0
  S  S21  1  0.249  0.692  0.019  1.0
  S  S22  1  0.751  0.192  0.481  1.0
  S  S23  1  0.751  0.808  0.519  1.0
  S  S24  1  0.752  0.108  0.886  1.0
  S  S25  1  0.752  0.892  0.114  1.0
  S  S26  1  0.248  0.392  0.386  1.0
  S  S27  1  0.248  0.608  0.614  1.0
  S  S28  1  0.759  0.178  0.717  1.0
  S  S29  1  0.759  0.822  0.283  1.0
  S  S30  1  0.241  0.322  0.217  1.0
  S  S31  1  0.241  0.678  0.783  1.0
  S  S32  1  0.251  0.385  0.756  1.0
  S  S33  1  0.251  0.615  0.244  1.0
  S  S34  1  0.749  0.115  0.256  1.0
  S  S35  1  0.749  0.885  0.744  1.0
  S  S36  1  0.253  0.021  0.605  1.0
  S  S37  1  0.253  0.979  0.395  1.0
  S  S38  1  0.747  0.479  0.105  1.0
  S  S39  1  0.747  0.521  0.895  1.0
[/CIF]
.
The crystal structure described by Gd3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third Gd site, Gd(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted GdS7 pentagonal bipyramids that share edges with two equivalent In(1)S6 octahedra and edges with two equivalent Gd(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent Gd(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(5) is bonded to one Gd(2), two equivalent Gd(1), and two equivalent Gd(3) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(2)Gd4In square pyramids,  a cornercorner with one S(6)Gd3In2 trigonal bipyramid, corners with two equivalent S(4)Gd5 trigonal bipyramids, corners with four equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(2)Gd4In square pyramid, edges with two equivalent S(6)Gd3In2 trigonal bipyramids, edges with two equivalent S(5)Gd5 trigonal bipyramids, edges with three equivalent S(4)Gd5 trigonal bipyramids, and  an edgeedge with one S(3)Gd3In trigonal pyramid. In the second S site, S(6) is bonded to one Gd(1), one Gd(2), one Gd(3), and two equivalent In(1) atoms to form SGd3In2 trigonal bipyramids that share  a cornercorner with one S(4)Gd5 trigonal bipyramid,  a cornercorner with one S(5)Gd5 trigonal bipyramid, corners with four equivalent S(6)Gd3In2 trigonal bipyramids, corners with three equivalent S(3)Gd3In trigonal pyramids, edges with four equivalent S(2)Gd4In square pyramids,  an edgeedge with one S(6)Gd3In2 trigonal bipyramid, edges with two equivalent S(4)Gd5 trigonal bipyramids, and edges with two equivalent S(5)Gd5 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent Gd(2), two equivalent Gd(3), and one In(1) atom to form SGd4In square pyramids that share  a cornercorner with one S(2)Gd4In square pyramid, corners with four equivalent S(4)Gd5 trigonal bipyramids, corners with four equivalent S(5)Gd5 trigonal bipyramids, corners with two equivalent S(3)Gd3In trigonal pyramids, edges with two equivalent S(2)Gd4In square pyramids,  an edgeedge with one S(4)Gd5 trigonal bipyramid,  an edgeedge with one S(5)Gd5 trigonal bipyramid, and edges with four equivalent S(6)Gd3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Gd(3), two equivalent Gd(1), and one In(2) atom to form SGd3In trigonal pyramids that share corners with two equivalent S(2)Gd4In square pyramids, corners with two equivalent S(4)Gd5 trigonal bipyramids, corners with three equivalent S(6)Gd3In2 trigonal bipyramids, corners with four equivalent S(5)Gd5 trigonal bipyramids, corners with three equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(5)Gd5 trigonal bipyramid, and  a faceface with one S(4)Gd5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Gd(3), two equivalent Gd(1), and two equivalent Gd(2) atoms to form distorted SGd5 trigonal bipyramids that share corners with four equivalent S(2)Gd4In square pyramids,  a cornercorner with one S(6)Gd3In2 trigonal bipyramid, corners with two equivalent S(5)Gd5 trigonal bipyramids, corners with two equivalent S(3)Gd3In trigonal pyramids,  an edgeedge with one S(2)Gd4In square pyramid, edges with two equivalent S(6)Gd3In2 trigonal bipyramids, edges with two equivalent S(4)Gd5 trigonal bipyramids, edges with three equivalent S(5)Gd5 trigonal bipyramids, and  a faceface with one S(3)Gd3In trigonal pyramid. is represented by the CIF card [CIF]
data_Gd3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.929
_cell_length_b   13.599
_cell_length_c   16.714
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.932
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.253  0.036  0.777  1.0
  Gd  Gd1  1  0.253  0.964  0.223  1.0
  Gd  Gd2  1  0.747  0.464  0.277  1.0
  Gd  Gd3  1  0.747  0.536  0.723  1.0
  Gd  Gd4  1  0.263  0.247  0.610  1.0
  Gd  Gd5  1  0.263  0.753  0.390  1.0
  Gd  Gd6  1  0.737  0.253  0.110  1.0
  Gd  Gd7  1  0.737  0.747  0.890  1.0
  Gd  Gd8  1  0.750  0.309  0.857  1.0
  Gd  Gd9  1  0.750  0.691  0.143  1.0
  Gd  Gd10  1  0.250  0.191  0.357  1.0
  Gd  Gd11  1  0.250  0.809  0.643  1.0
  In  In12  1  0.753  0.000  0.500  1.0
  In  In13  1  0.247  0.500  0.000  1.0
  In  In14  1  0.392  0.500  0.500  1.0
  In  In15  1  0.608  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.592  1.0
  S  S17  1  0.769  0.603  0.408  1.0
  S  S18  1  0.231  0.103  0.092  1.0
  S  S19  1  0.231  0.897  0.908  1.0
  S  S20  1  0.249  0.308  0.981  1.0
  S  S21  1  0.249  0.692  0.019  1.0
  S  S22  1  0.751  0.192  0.481  1.0
  S  S23  1  0.751  0.808  0.519  1.0
  S  S24  1  0.752  0.108  0.886  1.0
  S  S25  1  0.752  0.892  0.114  1.0
  S  S26  1  0.248  0.392  0.386  1.0
  S  S27  1  0.248  0.608  0.614  1.0
  S  S28  1  0.759  0.178  0.717  1.0
  S  S29  1  0.759  0.822  0.283  1.0
  S  S30  1  0.241  0.322  0.217  1.0
  S  S31  1  0.241  0.678  0.783  1.0
  S  S32  1  0.251  0.385  0.756  1.0
  S  S33  1  0.251  0.615  0.244  1.0
  S  S34  1  0.749  0.115  0.256  1.0
  S  S35  1  0.749  0.885  0.744  1.0
  S  S36  1  0.253  0.021  0.605  1.0
  S  S37  1  0.253  0.979  0.395  1.0
  S  S38  1  0.747  0.479  0.105  1.0
  S  S39  1  0.747  0.521  0.895  1.0
[/CIF]
.