The structure described by Lu3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu site, Lu(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 LuS7 pentagonal bipyramids that share edges with two equivalent In(1)S6 octahedra and edges with two equivalent Lu(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 Lu(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are six inequivalent S sites. In the first S site, S(5) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms. In the second S site, S(6) is bonded to one Lu(1), one Lu(2), one Lu(3), and two equivalent In(1) atoms to form SLu3In2 trigonal bipyramids that share  a cornercorner with one S(4)Lu5 trigonal bipyramid, corners with four equivalent S(6)Lu3In2 trigonal bipyramids, corners with three equivalent S(3)Lu3In trigonal pyramids, edges with four equivalent S(2)Lu4In square pyramids,  an edgeedge with one S(6)Lu3In2 trigonal bipyramid, and edges with two equivalent S(4)Lu5 trigonal bipyramids. In the third S site, S(1) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), and two equivalent In(2) atoms. In the fourth S site, S(2) is bonded to two equivalent Lu(2), two equivalent Lu(3), and one In(1) atom to form SLu4In square pyramids that share  a cornercorner with one S(2)Lu4In square pyramid, corners with four equivalent S(4)Lu5 trigonal bipyramids, corners with two equivalent S(3)Lu3In trigonal pyramids, edges with two equivalent S(2)Lu4In square pyramids,  an edgeedge with one S(4)Lu5 trigonal bipyramid, and edges with four equivalent S(6)Lu3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Lu(3), two equivalent Lu(1), and one In(2) atom to form distorted SLu3In trigonal pyramids that share corners with two equivalent S(2)Lu4In square pyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids, corners with three equivalent S(6)Lu3In2 trigonal bipyramids, corners with three equivalent S(3)Lu3In trigonal pyramids, and  a faceface with one S(4)Lu5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Lu(3), two equivalent Lu(1), and two equivalent Lu(2) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(2)Lu4In square pyramids,  a cornercorner with one S(6)Lu3In2 trigonal bipyramid, corners with two equivalent S(3)Lu3In trigonal pyramids,  an edgeedge with one S(2)Lu4In square pyramid, edges with two equivalent S(6)Lu3In2 trigonal bipyramids, edges with two equivalent S(4)Lu5 trigonal bipyramids, and  a faceface with one S(3)Lu3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.796
_cell_length_b   13.238
_cell_length_c   16.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.296
_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
  Lu  Lu0  1  0.253  0.035  0.776  1.0
  Lu  Lu1  1  0.253  0.965  0.224  1.0
  Lu  Lu2  1  0.747  0.465  0.276  1.0
  Lu  Lu3  1  0.747  0.535  0.724  1.0
  Lu  Lu4  1  0.264  0.247  0.611  1.0
  Lu  Lu5  1  0.264  0.753  0.389  1.0
  Lu  Lu6  1  0.736  0.253  0.111  1.0
  Lu  Lu7  1  0.736  0.747  0.889  1.0
  Lu  Lu8  1  0.748  0.310  0.856  1.0
  Lu  Lu9  1  0.748  0.690  0.144  1.0
  Lu  Lu10  1  0.252  0.190  0.356  1.0
  Lu  Lu11  1  0.252  0.810  0.644  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  0.374  0.500  0.500  1.0
  In  In15  1  0.626  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.594  1.0
  S  S17  1  0.769  0.603  0.406  1.0
  S  S18  1  0.231  0.103  0.094  1.0
  S  S19  1  0.231  0.897  0.906  1.0
  S  S20  1  0.247  0.305  0.980  1.0
  S  S21  1  0.247  0.695  0.020  1.0
  S  S22  1  0.753  0.195  0.480  1.0
  S  S23  1  0.753  0.805  0.520  1.0
  S  S24  1  0.751  0.109  0.882  1.0
  S  S25  1  0.751  0.891  0.118  1.0
  S  S26  1  0.249  0.391  0.382  1.0
  S  S27  1  0.249  0.609  0.618  1.0
  S  S28  1  0.760  0.179  0.716  1.0
  S  S29  1  0.760  0.821  0.284  1.0
  S  S30  1  0.240  0.321  0.216  1.0
  S  S31  1  0.240  0.679  0.784  1.0
  S  S32  1  0.250  0.384  0.757  1.0
  S  S33  1  0.250  0.616  0.243  1.0
  S  S34  1  0.750  0.116  0.257  1.0
  S  S35  1  0.750  0.884  0.743  1.0
  S  S36  1  0.254  0.021  0.607  1.0
  S  S37  1  0.254  0.979  0.393  1.0
  S  S38  1  0.746  0.479  0.107  1.0
  S  S39  1  0.746  0.521  0.893  1.0
[/CIF]
.
The structure described by Lu3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(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 Lu site, Lu(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 Lu site, Lu(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 LuS7 pentagonal bipyramids that share edges with two equivalent In(1)S6 octahedra and edges with two equivalent Lu(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 Lu(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(1) atoms. There are six inequivalent S sites. In the first S site, S(5) is bonded in a 5-coordinate geometry to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms. In the second S site, S(6) is bonded to one Lu(1), one Lu(2), one Lu(3), and two equivalent In(1) atoms to form SLu3In2 trigonal bipyramids that share  a cornercorner with one S(4)Lu5 trigonal bipyramid, corners with four equivalent S(6)Lu3In2 trigonal bipyramids, corners with three equivalent S(3)Lu3In trigonal pyramids, edges with four equivalent S(2)Lu4In square pyramids,  an edgeedge with one S(6)Lu3In2 trigonal bipyramid, and edges with two equivalent S(4)Lu5 trigonal bipyramids. In the third S site, S(1) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Lu(2), and two equivalent In(2) atoms. In the fourth S site, S(2) is bonded to two equivalent Lu(2), two equivalent Lu(3), and one In(1) atom to form SLu4In square pyramids that share  a cornercorner with one S(2)Lu4In square pyramid, corners with four equivalent S(4)Lu5 trigonal bipyramids, corners with two equivalent S(3)Lu3In trigonal pyramids, edges with two equivalent S(2)Lu4In square pyramids,  an edgeedge with one S(4)Lu5 trigonal bipyramid, and edges with four equivalent S(6)Lu3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one Lu(3), two equivalent Lu(1), and one In(2) atom to form distorted SLu3In trigonal pyramids that share corners with two equivalent S(2)Lu4In square pyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids, corners with three equivalent S(6)Lu3In2 trigonal bipyramids, corners with three equivalent S(3)Lu3In trigonal pyramids, and  a faceface with one S(4)Lu5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one Lu(3), two equivalent Lu(1), and two equivalent Lu(2) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(2)Lu4In square pyramids,  a cornercorner with one S(6)Lu3In2 trigonal bipyramid, corners with two equivalent S(3)Lu3In trigonal pyramids,  an edgeedge with one S(2)Lu4In square pyramid, edges with two equivalent S(6)Lu3In2 trigonal bipyramids, edges with two equivalent S(4)Lu5 trigonal bipyramids, and  a faceface with one S(3)Lu3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.796
_cell_length_b   13.238
_cell_length_c   16.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.296
_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
  Lu  Lu0  1  0.253  0.035  0.776  1.0
  Lu  Lu1  1  0.253  0.965  0.224  1.0
  Lu  Lu2  1  0.747  0.465  0.276  1.0
  Lu  Lu3  1  0.747  0.535  0.724  1.0
  Lu  Lu4  1  0.264  0.247  0.611  1.0
  Lu  Lu5  1  0.264  0.753  0.389  1.0
  Lu  Lu6  1  0.736  0.253  0.111  1.0
  Lu  Lu7  1  0.736  0.747  0.889  1.0
  Lu  Lu8  1  0.748  0.310  0.856  1.0
  Lu  Lu9  1  0.748  0.690  0.144  1.0
  Lu  Lu10  1  0.252  0.190  0.356  1.0
  Lu  Lu11  1  0.252  0.810  0.644  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  0.374  0.500  0.500  1.0
  In  In15  1  0.626  0.000  0.000  1.0
  S  S16  1  0.769  0.397  0.594  1.0
  S  S17  1  0.769  0.603  0.406  1.0
  S  S18  1  0.231  0.103  0.094  1.0
  S  S19  1  0.231  0.897  0.906  1.0
  S  S20  1  0.247  0.305  0.980  1.0
  S  S21  1  0.247  0.695  0.020  1.0
  S  S22  1  0.753  0.195  0.480  1.0
  S  S23  1  0.753  0.805  0.520  1.0
  S  S24  1  0.751  0.109  0.882  1.0
  S  S25  1  0.751  0.891  0.118  1.0
  S  S26  1  0.249  0.391  0.382  1.0
  S  S27  1  0.249  0.609  0.618  1.0
  S  S28  1  0.760  0.179  0.716  1.0
  S  S29  1  0.760  0.821  0.284  1.0
  S  S30  1  0.240  0.321  0.216  1.0
  S  S31  1  0.240  0.679  0.784  1.0
  S  S32  1  0.250  0.384  0.757  1.0
  S  S33  1  0.250  0.616  0.243  1.0
  S  S34  1  0.750  0.116  0.257  1.0
  S  S35  1  0.750  0.884  0.743  1.0
  S  S36  1  0.254  0.021  0.607  1.0
  S  S37  1  0.254  0.979  0.393  1.0
  S  S38  1  0.746  0.479  0.107  1.0
  S  S39  1  0.746  0.521  0.893  1.0
[/CIF]
.