The material structure described by Sm3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(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 Sm site, Sm(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 Sm site, Sm(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 SmS7 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 Sm(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. 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 Sm(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 Sm(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 Sm(2), two equivalent Sm(1), and two equivalent Sm(3) atoms to form distorted SSm5 trigonal bipyramids that share  a cornercorner with one S(4)Sm3Cr2 trigonal bipyramid, corners with two equivalent S(2)Sm5 trigonal bipyramids, corners with four equivalent S(3)Sm4Cr trigonal bipyramids,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid, edges with two equivalent S(4)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(6)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with three equivalent S(2)Sm5 trigonal bipyramids. In the second S site, S(6) is bonded to one Sm(1), two equivalent Sm(2), and two equivalent Cr(2) atoms to form distorted SSm3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with two equivalent S(3)Sm4Cr trigonal bipyramids, corners with three equivalent S(4)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(2)Sm5 trigonal bipyramids,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid,  an edgeedge with one S(2)Sm5 trigonal bipyramid, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with three equivalent S(6)Sm3Cr2 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Sm(3), two equivalent Sm(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one Sm(3), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SSm5 trigonal bipyramids that share  a cornercorner with one S(4)Sm3Cr2 trigonal bipyramid, corners with two equivalent S(5)Sm5 trigonal bipyramids, corners with four equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(3)Sm4Cr trigonal bipyramids,  an edgeedge with one S(6)Sm3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid, edges with two equivalent S(4)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(2)Sm5 trigonal bipyramids, and edges with three equivalent S(5)Sm5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent Sm(2), two equivalent Sm(3), and one Cr(1) atom to form distorted SSm4Cr trigonal bipyramids that share  a cornercorner with one S(3)Sm4Cr trigonal bipyramid, corners with two equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(2)Sm5 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids,  an edgeedge with one S(6)Sm3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Sm5 trigonal bipyramid,  an edgeedge with one S(5)Sm5 trigonal bipyramid, edges with two equivalent S(3)Sm4Cr trigonal bipyramids, and edges with four equivalent S(4)Sm3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Sm(1), one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted SSm3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Sm5 trigonal bipyramid,  a cornercorner with one S(5)Sm5 trigonal bipyramid, corners with three equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(4)Sm3Cr2 trigonal bipyramids,  an edgeedge with one S(4)Sm3Cr2 trigonal bipyramid, edges with two equivalent S(2)Sm5 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with four equivalent S(3)Sm4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_Sm3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.845
_cell_length_b   13.533
_cell_length_c   16.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   839.483
_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
  Sm  Sm0  1  0.000  0.552  0.281  1.0
  Sm  Sm1  1  0.000  0.448  0.719  1.0
  Sm  Sm2  1  0.500  0.948  0.781  1.0
  Sm  Sm3  1  0.500  0.052  0.219  1.0
  Sm  Sm4  1  0.000  0.758  0.097  1.0
  Sm  Sm5  1  0.000  0.242  0.903  1.0
  Sm  Sm6  1  0.500  0.742  0.597  1.0
  Sm  Sm7  1  0.500  0.258  0.403  1.0
  Sm  Sm8  1  0.000  0.320  0.148  1.0
  Sm  Sm9  1  0.000  0.680  0.852  1.0
  Sm  Sm10  1  0.500  0.180  0.648  1.0
  Sm  Sm11  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  0.122  0.105  1.0
  S  S17  1  0.000  0.878  0.895  1.0
  S  S18  1  0.500  0.378  0.605  1.0
  S  S19  1  0.500  0.622  0.395  1.0
  S  S20  1  0.000  0.189  0.290  1.0
  S  S21  1  0.000  0.811  0.710  1.0
  S  S22  1  0.500  0.311  0.790  1.0
  S  S23  1  0.500  0.689  0.210  1.0
  S  S24  1  0.000  0.178  0.520  1.0
  S  S25  1  0.000  0.822  0.480  1.0
  S  S26  1  0.500  0.322  0.020  1.0
  S  S27  1  0.500  0.678  0.980  1.0
  S  S28  1  0.000  0.523  0.096  1.0
  S  S29  1  0.000  0.477  0.904  1.0
  S  S30  1  0.500  0.977  0.596  1.0
  S  S31  1  0.500  0.023  0.404  1.0
  S  S32  1  0.000  0.102  0.754  1.0
  S  S33  1  0.000  0.898  0.246  1.0
  S  S34  1  0.500  0.398  0.254  1.0
  S  S35  1  0.500  0.602  0.746  1.0
  S  S36  1  0.000  0.419  0.427  1.0
  S  S37  1  0.000  0.581  0.573  1.0
  S  S38  1  0.500  0.081  0.927  1.0
  S  S39  1  0.500  0.919  0.073  1.0
[/CIF]
.
The material structure described by Sm3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(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 Sm site, Sm(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 Sm site, Sm(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 SmS7 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 Sm(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. 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 Sm(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 Sm(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 Sm(2), two equivalent Sm(1), and two equivalent Sm(3) atoms to form distorted SSm5 trigonal bipyramids that share  a cornercorner with one S(4)Sm3Cr2 trigonal bipyramid, corners with two equivalent S(2)Sm5 trigonal bipyramids, corners with four equivalent S(3)Sm4Cr trigonal bipyramids,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid, edges with two equivalent S(4)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(6)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with three equivalent S(2)Sm5 trigonal bipyramids. In the second S site, S(6) is bonded to one Sm(1), two equivalent Sm(2), and two equivalent Cr(2) atoms to form distorted SSm3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with two equivalent S(3)Sm4Cr trigonal bipyramids, corners with three equivalent S(4)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(2)Sm5 trigonal bipyramids,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid,  an edgeedge with one S(2)Sm5 trigonal bipyramid, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with three equivalent S(6)Sm3Cr2 trigonal bipyramids. In the third S site, S(1) is bonded in a 4-coordinate geometry to one Sm(3), two equivalent Sm(1), and one Cr(2) atom. In the fourth S site, S(2) is bonded to one Sm(3), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SSm5 trigonal bipyramids that share  a cornercorner with one S(4)Sm3Cr2 trigonal bipyramid, corners with two equivalent S(5)Sm5 trigonal bipyramids, corners with four equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(3)Sm4Cr trigonal bipyramids,  an edgeedge with one S(6)Sm3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Sm4Cr trigonal bipyramid, edges with two equivalent S(4)Sm3Cr2 trigonal bipyramids, edges with two equivalent S(2)Sm5 trigonal bipyramids, and edges with three equivalent S(5)Sm5 trigonal bipyramids. In the fifth S site, S(3) is bonded to two equivalent Sm(2), two equivalent Sm(3), and one Cr(1) atom to form distorted SSm4Cr trigonal bipyramids that share  a cornercorner with one S(3)Sm4Cr trigonal bipyramid, corners with two equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(2)Sm5 trigonal bipyramids, corners with four equivalent S(5)Sm5 trigonal bipyramids,  an edgeedge with one S(6)Sm3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Sm5 trigonal bipyramid,  an edgeedge with one S(5)Sm5 trigonal bipyramid, edges with two equivalent S(3)Sm4Cr trigonal bipyramids, and edges with four equivalent S(4)Sm3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Sm(1), one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted SSm3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Sm5 trigonal bipyramid,  a cornercorner with one S(5)Sm5 trigonal bipyramid, corners with three equivalent S(6)Sm3Cr2 trigonal bipyramids, corners with four equivalent S(4)Sm3Cr2 trigonal bipyramids,  an edgeedge with one S(4)Sm3Cr2 trigonal bipyramid, edges with two equivalent S(2)Sm5 trigonal bipyramids, edges with two equivalent S(5)Sm5 trigonal bipyramids, and edges with four equivalent S(3)Sm4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_Sm3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.845
_cell_length_b   13.533
_cell_length_c   16.133
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   839.483
_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
  Sm  Sm0  1  0.000  0.552  0.281  1.0
  Sm  Sm1  1  0.000  0.448  0.719  1.0
  Sm  Sm2  1  0.500  0.948  0.781  1.0
  Sm  Sm3  1  0.500  0.052  0.219  1.0
  Sm  Sm4  1  0.000  0.758  0.097  1.0
  Sm  Sm5  1  0.000  0.242  0.903  1.0
  Sm  Sm6  1  0.500  0.742  0.597  1.0
  Sm  Sm7  1  0.500  0.258  0.403  1.0
  Sm  Sm8  1  0.000  0.320  0.148  1.0
  Sm  Sm9  1  0.000  0.680  0.852  1.0
  Sm  Sm10  1  0.500  0.180  0.648  1.0
  Sm  Sm11  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  0.122  0.105  1.0
  S  S17  1  0.000  0.878  0.895  1.0
  S  S18  1  0.500  0.378  0.605  1.0
  S  S19  1  0.500  0.622  0.395  1.0
  S  S20  1  0.000  0.189  0.290  1.0
  S  S21  1  0.000  0.811  0.710  1.0
  S  S22  1  0.500  0.311  0.790  1.0
  S  S23  1  0.500  0.689  0.210  1.0
  S  S24  1  0.000  0.178  0.520  1.0
  S  S25  1  0.000  0.822  0.480  1.0
  S  S26  1  0.500  0.322  0.020  1.0
  S  S27  1  0.500  0.678  0.980  1.0
  S  S28  1  0.000  0.523  0.096  1.0
  S  S29  1  0.000  0.477  0.904  1.0
  S  S30  1  0.500  0.977  0.596  1.0
  S  S31  1  0.500  0.023  0.404  1.0
  S  S32  1  0.000  0.102  0.754  1.0
  S  S33  1  0.000  0.898  0.246  1.0
  S  S34  1  0.500  0.398  0.254  1.0
  S  S35  1  0.500  0.602  0.746  1.0
  S  S36  1  0.000  0.419  0.427  1.0
  S  S37  1  0.000  0.581  0.573  1.0
  S  S38  1  0.500  0.081  0.927  1.0
  S  S39  1  0.500  0.919  0.073  1.0
[/CIF]
.