The material described by La3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the third La site, La(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted LaS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent La(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent La(3)S7 pentagonal bipyramids. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent La(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded to one La(2), two equivalent La(1), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share  a cornercorner with one S(4)La3Cr2 trigonal bipyramid, corners with two equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(3)La4Cr trigonal bipyramids, edges with two equivalent S(6)La3Cr2 square pyramids,  an edgeedge with one S(3)La4Cr trigonal bipyramid, edges with two equivalent S(4)La3Cr2 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, and edges with three equivalent S(2)La5 trigonal bipyramids. In the second S site, S(6) is bonded to one La(1), two equivalent La(2), and two equivalent Cr(2) atoms to form distorted SLa3Cr2 square pyramids that share corners with two equivalent S(6)La3Cr2 square pyramids, corners with two equivalent S(3)La4Cr trigonal bipyramids, corners with three equivalent S(4)La3Cr2 trigonal bipyramids, corners with four equivalent S(2)La5 trigonal bipyramids, edges with three equivalent S(6)La3Cr2 square pyramids,  an edgeedge with one S(3)La4Cr trigonal bipyramid,  an edgeedge with one S(2)La5 trigonal bipyramid, and edges with two equivalent S(5)La5 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one La(3), two equivalent La(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one La(3), two equivalent La(1), and two equivalent La(2) atoms to form SLa5 trigonal bipyramids that share corners with four equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(4)La3Cr2 trigonal bipyramid, corners with two equivalent S(5)La5 trigonal bipyramids, corners with four equivalent S(3)La4Cr trigonal bipyramids,  an edgeedge with one S(6)La3Cr2 square pyramid,  an edgeedge with one S(3)La4Cr trigonal bipyramid, edges with two equivalent S(4)La3Cr2 trigonal bipyramids, edges with two equivalent S(2)La5 trigonal bipyramids, and edges with three equivalent S(5)La5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent La(2), two equivalent La(3), and one Cr(1) atom to form distorted SLa4Cr trigonal bipyramids that share corners with two equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(3)La4Cr trigonal bipyramid, corners with four equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids,  an edgeedge with one S(6)La3Cr2 square pyramid,  an edgeedge with one S(2)La5 trigonal bipyramid,  an edgeedge with one S(5)La5 trigonal bipyramid, edges with two equivalent S(3)La4Cr trigonal bipyramids, and edges with four equivalent S(4)La3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one La(1), one La(2), one La(3), and two equivalent Cr(1) atoms to form distorted SLa3Cr2 trigonal bipyramids that share corners with three equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(2)La5 trigonal bipyramid,  a cornercorner with one S(5)La5 trigonal bipyramid, corners with four equivalent S(4)La3Cr2 trigonal bipyramids,  an edgeedge with one S(4)La3Cr2 trigonal bipyramid, edges with two equivalent S(2)La5 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, and edges with four equivalent S(3)La4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_La3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   13.784
_cell_length_c   16.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   907.699
_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  0.000  0.550  0.285  1.0
  La  La1  1  0.000  0.450  0.715  1.0
  La  La2  1  0.500  0.950  0.785  1.0
  La  La3  1  0.500  0.050  0.215  1.0
  La  La4  1  0.000  0.755  0.097  1.0
  La  La5  1  0.000  0.245  0.903  1.0
  La  La6  1  0.500  0.745  0.597  1.0
  La  La7  1  0.500  0.255  0.403  1.0
  La  La8  1  0.000  0.320  0.148  1.0
  La  La9  1  0.000  0.680  0.852  1.0
  La  La10  1  0.500  0.180  0.648  1.0
  La  La11  1  0.500  0.820  0.352  1.0
  Cr  Cr12  1  0.000  0.000  0.500  1.0
  Cr  Cr13  1  0.500  0.500  0.000  1.0
  Cr  Cr14  1  0.000  0.000  0.000  1.0
  Cr  Cr15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.000  0.121  0.101  1.0
  S  S17  1  0.000  0.879  0.899  1.0
  S  S18  1  0.500  0.379  0.601  1.0
  S  S19  1  0.500  0.621  0.399  1.0
  S  S20  1  0.000  0.185  0.290  1.0
  S  S21  1  0.000  0.815  0.710  1.0
  S  S22  1  0.500  0.315  0.790  1.0
  S  S23  1  0.500  0.685  0.210  1.0
  S  S24  1  0.000  0.175  0.521  1.0
  S  S25  1  0.000  0.825  0.479  1.0
  S  S26  1  0.500  0.325  0.021  1.0
  S  S27  1  0.500  0.675  0.979  1.0
  S  S28  1  0.000  0.524  0.093  1.0
  S  S29  1  0.000  0.476  0.907  1.0
  S  S30  1  0.500  0.976  0.593  1.0
  S  S31  1  0.500  0.024  0.407  1.0
  S  S32  1  0.000  0.102  0.755  1.0
  S  S33  1  0.000  0.898  0.245  1.0
  S  S34  1  0.500  0.398  0.255  1.0
  S  S35  1  0.500  0.602  0.745  1.0
  S  S36  1  0.000  0.419  0.430  1.0
  S  S37  1  0.000  0.581  0.570  1.0
  S  S38  1  0.500  0.081  0.930  1.0
  S  S39  1  0.500  0.919  0.070  1.0
[/CIF]
.
The material described by La3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(4), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the third La site, La(3) is bonded to one S(1), one S(2), one S(4), two equivalent S(3), and two equivalent S(5) atoms to form distorted LaS7 pentagonal bipyramids that share  a cornercorner with one Cr(2)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent La(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 29°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent La(3)S7 pentagonal bipyramids. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent La(3)S7 pentagonal bipyramids and edges with two equivalent Cr(2)S6 octahedra. There are six inequivalent S sites. In the first S site, S(5) is bonded to one La(2), two equivalent La(1), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share  a cornercorner with one S(4)La3Cr2 trigonal bipyramid, corners with two equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(3)La4Cr trigonal bipyramids, edges with two equivalent S(6)La3Cr2 square pyramids,  an edgeedge with one S(3)La4Cr trigonal bipyramid, edges with two equivalent S(4)La3Cr2 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, and edges with three equivalent S(2)La5 trigonal bipyramids. In the second S site, S(6) is bonded to one La(1), two equivalent La(2), and two equivalent Cr(2) atoms to form distorted SLa3Cr2 square pyramids that share corners with two equivalent S(6)La3Cr2 square pyramids, corners with two equivalent S(3)La4Cr trigonal bipyramids, corners with three equivalent S(4)La3Cr2 trigonal bipyramids, corners with four equivalent S(2)La5 trigonal bipyramids, edges with three equivalent S(6)La3Cr2 square pyramids,  an edgeedge with one S(3)La4Cr trigonal bipyramid,  an edgeedge with one S(2)La5 trigonal bipyramid, and edges with two equivalent S(5)La5 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one La(3), two equivalent La(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one La(3), two equivalent La(1), and two equivalent La(2) atoms to form SLa5 trigonal bipyramids that share corners with four equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(4)La3Cr2 trigonal bipyramid, corners with two equivalent S(5)La5 trigonal bipyramids, corners with four equivalent S(3)La4Cr trigonal bipyramids,  an edgeedge with one S(6)La3Cr2 square pyramid,  an edgeedge with one S(3)La4Cr trigonal bipyramid, edges with two equivalent S(4)La3Cr2 trigonal bipyramids, edges with two equivalent S(2)La5 trigonal bipyramids, and edges with three equivalent S(5)La5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent La(2), two equivalent La(3), and one Cr(1) atom to form distorted SLa4Cr trigonal bipyramids that share corners with two equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(3)La4Cr trigonal bipyramid, corners with four equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids,  an edgeedge with one S(6)La3Cr2 square pyramid,  an edgeedge with one S(2)La5 trigonal bipyramid,  an edgeedge with one S(5)La5 trigonal bipyramid, edges with two equivalent S(3)La4Cr trigonal bipyramids, and edges with four equivalent S(4)La3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one La(1), one La(2), one La(3), and two equivalent Cr(1) atoms to form distorted SLa3Cr2 trigonal bipyramids that share corners with three equivalent S(6)La3Cr2 square pyramids,  a cornercorner with one S(2)La5 trigonal bipyramid,  a cornercorner with one S(5)La5 trigonal bipyramid, corners with four equivalent S(4)La3Cr2 trigonal bipyramids,  an edgeedge with one S(4)La3Cr2 trigonal bipyramid, edges with two equivalent S(2)La5 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, and edges with four equivalent S(3)La4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_La3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   13.784
_cell_length_c   16.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   907.699
_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  0.000  0.550  0.285  1.0
  La  La1  1  0.000  0.450  0.715  1.0
  La  La2  1  0.500  0.950  0.785  1.0
  La  La3  1  0.500  0.050  0.215  1.0
  La  La4  1  0.000  0.755  0.097  1.0
  La  La5  1  0.000  0.245  0.903  1.0
  La  La6  1  0.500  0.745  0.597  1.0
  La  La7  1  0.500  0.255  0.403  1.0
  La  La8  1  0.000  0.320  0.148  1.0
  La  La9  1  0.000  0.680  0.852  1.0
  La  La10  1  0.500  0.180  0.648  1.0
  La  La11  1  0.500  0.820  0.352  1.0
  Cr  Cr12  1  0.000  0.000  0.500  1.0
  Cr  Cr13  1  0.500  0.500  0.000  1.0
  Cr  Cr14  1  0.000  0.000  0.000  1.0
  Cr  Cr15  1  0.500  0.500  0.500  1.0
  S  S16  1  0.000  0.121  0.101  1.0
  S  S17  1  0.000  0.879  0.899  1.0
  S  S18  1  0.500  0.379  0.601  1.0
  S  S19  1  0.500  0.621  0.399  1.0
  S  S20  1  0.000  0.185  0.290  1.0
  S  S21  1  0.000  0.815  0.710  1.0
  S  S22  1  0.500  0.315  0.790  1.0
  S  S23  1  0.500  0.685  0.210  1.0
  S  S24  1  0.000  0.175  0.521  1.0
  S  S25  1  0.000  0.825  0.479  1.0
  S  S26  1  0.500  0.325  0.021  1.0
  S  S27  1  0.500  0.675  0.979  1.0
  S  S28  1  0.000  0.524  0.093  1.0
  S  S29  1  0.000  0.476  0.907  1.0
  S  S30  1  0.500  0.976  0.593  1.0
  S  S31  1  0.500  0.024  0.407  1.0
  S  S32  1  0.000  0.102  0.755  1.0
  S  S33  1  0.000  0.898  0.245  1.0
  S  S34  1  0.500  0.398  0.255  1.0
  S  S35  1  0.500  0.602  0.745  1.0
  S  S36  1  0.000  0.419  0.430  1.0
  S  S37  1  0.000  0.581  0.570  1.0
  S  S38  1  0.500  0.081  0.930  1.0
  S  S39  1  0.500  0.919  0.070  1.0
[/CIF]
.