The crystal structure described by La2CuInS5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(4), and three equivalent S(3) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(2) atoms. In(1) is bonded to one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form edge-sharing InS6 octahedra. There are five inequivalent S sites. In the first S site, S(5) is bonded to one La(1), two equivalent La(2), and two equivalent In(1) atoms to form distorted SLa3In2 trigonal bipyramids that share corners with two equivalent S(2)La2InCu3 octahedra, corners with two equivalent S(1)La4Cu square pyramids, corners with four equivalent S(5)La3In2 trigonal bipyramids, corners with five equivalent S(3)La3In2 trigonal bipyramids, edges with two equivalent S(2)La2InCu3 octahedra, edges with two equivalent S(1)La4Cu square pyramids, edges with four equivalent S(4)La4In square pyramids, and  an edgeedge with one S(3)La3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the second S site, S(1) is bonded to two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form SLa4Cu square pyramids that share corners with four equivalent S(2)La2InCu3 octahedra, corners with four equivalent S(4)La4In square pyramids, corners with two equivalent S(5)La3In2 trigonal bipyramids, corners with four equivalent S(3)La3In2 trigonal bipyramids, edges with two equivalent S(1)La4Cu square pyramids, edges with two equivalent S(4)La4In square pyramids,  an edgeedge with one S(3)La3In2 trigonal bipyramid, edges with two equivalent S(5)La3In2 trigonal bipyramids, and  a faceface with one S(2)La2InCu3 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the third S site, S(2) is bonded to two equivalent La(2), three equivalent Cu(1), and one In(1) atom to form distorted SLa2InCu3 octahedra that share corners with three equivalent S(4)La4In square pyramids, corners with four equivalent S(1)La4Cu square pyramids, corners with two equivalent S(3)La3In2 trigonal bipyramids, corners with two equivalent S(5)La3In2 trigonal bipyramids, edges with four equivalent S(2)La2InCu3 octahedra,  an edgeedge with one S(4)La4In square pyramid, edges with two equivalent S(5)La3In2 trigonal bipyramids, and  a faceface with one S(1)La4Cu square pyramid. In the fourth S site, S(3) is bonded to three equivalent La(1) and two equivalent In(1) atoms to form SLa3In2 trigonal bipyramids that share corners with two equivalent S(2)La2InCu3 octahedra, corners with two equivalent S(4)La4In square pyramids, corners with four equivalent S(1)La4Cu square pyramids, corners with five equivalent S(5)La3In2 trigonal bipyramids,  an edgeedge with one S(1)La4Cu square pyramid, edges with three equivalent S(4)La4In square pyramids,  an edgeedge with one S(5)La3In2 trigonal bipyramid, and edges with four equivalent S(3)La3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 88°. In the fifth S site, S(4) is bonded to two equivalent La(1), two equivalent La(2), and one In(1) atom to form SLa4In square pyramids that share corners with three equivalent S(2)La2InCu3 octahedra, corners with four equivalent S(1)La4Cu square pyramids, corners with two equivalent S(3)La3In2 trigonal bipyramids,  an edgeedge with one S(2)La2InCu3 octahedra, edges with two equivalent S(1)La4Cu square pyramids, edges with two equivalent S(4)La4In square pyramids, edges with three equivalent S(3)La3In2 trigonal bipyramids, and edges with four equivalent S(5)La3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-36°. is represented by the CIF file [CIF]
data_La2InCuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   11.605
_cell_length_c   16.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.435
_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
  La  La0  1  0.250  0.135  0.408  1.0
  La  La1  1  0.250  0.635  0.092  1.0
  La  La2  1  0.750  0.865  0.592  1.0
  La  La3  1  0.750  0.365  0.908  1.0
  La  La4  1  0.250  0.480  0.321  1.0
  La  La5  1  0.250  0.980  0.179  1.0
  La  La6  1  0.750  0.520  0.679  1.0
  La  La7  1  0.750  0.020  0.821  1.0
  In  In8  1  0.250  0.195  0.641  1.0
  In  In9  1  0.250  0.695  0.859  1.0
  In  In10  1  0.750  0.805  0.359  1.0
  In  In11  1  0.750  0.305  0.141  1.0
  Cu  Cu12  1  0.250  0.595  0.497  1.0
  Cu  Cu13  1  0.250  0.095  0.003  1.0
  Cu  Cu14  1  0.750  0.405  0.503  1.0
  Cu  Cu15  1  0.750  0.905  0.997  1.0
  S  S16  1  0.250  0.682  0.617  1.0
  S  S17  1  0.250  0.182  0.883  1.0
  S  S18  1  0.750  0.318  0.383  1.0
  S  S19  1  0.750  0.818  0.117  1.0
  S  S20  1  0.250  0.399  0.574  1.0
  S  S21  1  0.250  0.899  0.926  1.0
  S  S22  1  0.750  0.601  0.426  1.0
  S  S23  1  0.750  0.101  0.074  1.0
  S  S24  1  0.250  0.886  0.462  1.0
  S  S25  1  0.250  0.386  0.038  1.0
  S  S26  1  0.750  0.114  0.538  1.0
  S  S27  1  0.750  0.614  0.962  1.0
  S  S28  1  0.250  0.486  0.806  1.0
  S  S29  1  0.250  0.986  0.694  1.0
  S  S30  1  0.750  0.514  0.194  1.0
  S  S31  1  0.750  0.014  0.306  1.0
  S  S32  1  0.250  0.740  0.270  1.0
  S  S33  1  0.250  0.240  0.230  1.0
  S  S34  1  0.750  0.260  0.730  1.0
  S  S35  1  0.750  0.760  0.770  1.0
[/CIF]
.
The crystal structure described by La2CuInS5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(4), and three equivalent S(3) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(4), and two equivalent S(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(2) atoms. In(1) is bonded to one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form edge-sharing InS6 octahedra. There are five inequivalent S sites. In the first S site, S(5) is bonded to one La(1), two equivalent La(2), and two equivalent In(1) atoms to form distorted SLa3In2 trigonal bipyramids that share corners with two equivalent S(2)La2InCu3 octahedra, corners with two equivalent S(1)La4Cu square pyramids, corners with four equivalent S(5)La3In2 trigonal bipyramids, corners with five equivalent S(3)La3In2 trigonal bipyramids, edges with two equivalent S(2)La2InCu3 octahedra, edges with two equivalent S(1)La4Cu square pyramids, edges with four equivalent S(4)La4In square pyramids, and  an edgeedge with one S(3)La3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the second S site, S(1) is bonded to two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form SLa4Cu square pyramids that share corners with four equivalent S(2)La2InCu3 octahedra, corners with four equivalent S(4)La4In square pyramids, corners with two equivalent S(5)La3In2 trigonal bipyramids, corners with four equivalent S(3)La3In2 trigonal bipyramids, edges with two equivalent S(1)La4Cu square pyramids, edges with two equivalent S(4)La4In square pyramids,  an edgeedge with one S(3)La3In2 trigonal bipyramid, edges with two equivalent S(5)La3In2 trigonal bipyramids, and  a faceface with one S(2)La2InCu3 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the third S site, S(2) is bonded to two equivalent La(2), three equivalent Cu(1), and one In(1) atom to form distorted SLa2InCu3 octahedra that share corners with three equivalent S(4)La4In square pyramids, corners with four equivalent S(1)La4Cu square pyramids, corners with two equivalent S(3)La3In2 trigonal bipyramids, corners with two equivalent S(5)La3In2 trigonal bipyramids, edges with four equivalent S(2)La2InCu3 octahedra,  an edgeedge with one S(4)La4In square pyramid, edges with two equivalent S(5)La3In2 trigonal bipyramids, and  a faceface with one S(1)La4Cu square pyramid. In the fourth S site, S(3) is bonded to three equivalent La(1) and two equivalent In(1) atoms to form SLa3In2 trigonal bipyramids that share corners with two equivalent S(2)La2InCu3 octahedra, corners with two equivalent S(4)La4In square pyramids, corners with four equivalent S(1)La4Cu square pyramids, corners with five equivalent S(5)La3In2 trigonal bipyramids,  an edgeedge with one S(1)La4Cu square pyramid, edges with three equivalent S(4)La4In square pyramids,  an edgeedge with one S(5)La3In2 trigonal bipyramid, and edges with four equivalent S(3)La3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 88°. In the fifth S site, S(4) is bonded to two equivalent La(1), two equivalent La(2), and one In(1) atom to form SLa4In square pyramids that share corners with three equivalent S(2)La2InCu3 octahedra, corners with four equivalent S(1)La4Cu square pyramids, corners with two equivalent S(3)La3In2 trigonal bipyramids,  an edgeedge with one S(2)La2InCu3 octahedra, edges with two equivalent S(1)La4Cu square pyramids, edges with two equivalent S(4)La4In square pyramids, edges with three equivalent S(3)La3In2 trigonal bipyramids, and edges with four equivalent S(5)La3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-36°. is represented by the CIF file [CIF]
data_La2InCuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.980
_cell_length_b   11.605
_cell_length_c   16.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   781.435
_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
  La  La0  1  0.250  0.135  0.408  1.0
  La  La1  1  0.250  0.635  0.092  1.0
  La  La2  1  0.750  0.865  0.592  1.0
  La  La3  1  0.750  0.365  0.908  1.0
  La  La4  1  0.250  0.480  0.321  1.0
  La  La5  1  0.250  0.980  0.179  1.0
  La  La6  1  0.750  0.520  0.679  1.0
  La  La7  1  0.750  0.020  0.821  1.0
  In  In8  1  0.250  0.195  0.641  1.0
  In  In9  1  0.250  0.695  0.859  1.0
  In  In10  1  0.750  0.805  0.359  1.0
  In  In11  1  0.750  0.305  0.141  1.0
  Cu  Cu12  1  0.250  0.595  0.497  1.0
  Cu  Cu13  1  0.250  0.095  0.003  1.0
  Cu  Cu14  1  0.750  0.405  0.503  1.0
  Cu  Cu15  1  0.750  0.905  0.997  1.0
  S  S16  1  0.250  0.682  0.617  1.0
  S  S17  1  0.250  0.182  0.883  1.0
  S  S18  1  0.750  0.318  0.383  1.0
  S  S19  1  0.750  0.818  0.117  1.0
  S  S20  1  0.250  0.399  0.574  1.0
  S  S21  1  0.250  0.899  0.926  1.0
  S  S22  1  0.750  0.601  0.426  1.0
  S  S23  1  0.750  0.101  0.074  1.0
  S  S24  1  0.250  0.886  0.462  1.0
  S  S25  1  0.250  0.386  0.038  1.0
  S  S26  1  0.750  0.114  0.538  1.0
  S  S27  1  0.750  0.614  0.962  1.0
  S  S28  1  0.250  0.486  0.806  1.0
  S  S29  1  0.250  0.986  0.694  1.0
  S  S30  1  0.750  0.514  0.194  1.0
  S  S31  1  0.750  0.014  0.306  1.0
  S  S32  1  0.250  0.740  0.270  1.0
  S  S33  1  0.250  0.240  0.230  1.0
  S  S34  1  0.750  0.260  0.730  1.0
  S  S35  1  0.750  0.760  0.770  1.0
[/CIF]
.