The material structure described by Y3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 YS7 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 Y(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. 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 Y(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 Y(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 Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with four equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(2)Y5 trigonal bipyramids, and  an edgeedge with one S(1)Y3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Y(1), two equivalent Y(2), and two equivalent Cr(2) atoms to form distorted SY3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(6)Y3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Y3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Y(3), two equivalent Y(1), and one Cr(2) atom to form distorted SY3Cr trigonal pyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, and  a faceface with one S(2)Y5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(5)Y5 trigonal bipyramids, corners with four equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with three equivalent S(5)Y5 trigonal bipyramids, and  a faceface with one S(1)Y3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one Cr(1) atom to form distorted SY4Cr trigonal bipyramids that share  a cornercorner with one S(3)Y4Cr trigonal bipyramid, corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(3)Y4Cr trigonal bipyramids, and edges with four equivalent S(4)Y3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Y(1), one Y(2), one Y(3), and two equivalent Cr(1) atoms to form distorted SY3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Y5 trigonal bipyramid,  a cornercorner with one S(5)Y5 trigonal bipyramid, corners with three equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(4)Y3Cr2 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(4)Y3Cr2 trigonal bipyramid, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, and edges with four equivalent S(3)Y4Cr trigonal bipyramids. is represented by the CIF file [CIF]
data_Y3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   13.318
_cell_length_c   15.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   801.259
_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
  Y  Y0  1  0.000  0.549  0.279  1.0
  Y  Y1  1  0.000  0.451  0.721  1.0
  Y  Y2  1  0.500  0.951  0.779  1.0
  Y  Y3  1  0.500  0.049  0.221  1.0
  Y  Y4  1  0.000  0.757  0.099  1.0
  Y  Y5  1  0.000  0.243  0.901  1.0
  Y  Y6  1  0.500  0.743  0.599  1.0
  Y  Y7  1  0.500  0.257  0.401  1.0
  Y  Y8  1  0.000  0.318  0.147  1.0
  Y  Y9  1  0.000  0.682  0.853  1.0
  Y  Y10  1  0.500  0.182  0.647  1.0
  Y  Y11  1  0.500  0.818  0.353  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  0.120  0.108  1.0
  S  S17  1  0.000  0.880  0.892  1.0
  S  S18  1  0.500  0.380  0.608  1.0
  S  S19  1  0.500  0.620  0.392  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  0.180  0.520  1.0
  S  S25  1  0.000  0.820  0.480  1.0
  S  S26  1  0.500  0.320  0.020  1.0
  S  S27  1  0.500  0.680  0.980  1.0
  S  S28  1  0.000  0.521  0.097  1.0
  S  S29  1  0.000  0.479  0.903  1.0
  S  S30  1  0.500  0.979  0.597  1.0
  S  S31  1  0.500  0.021  0.403  1.0
  S  S32  1  0.000  0.104  0.753  1.0
  S  S33  1  0.000  0.896  0.247  1.0
  S  S34  1  0.500  0.396  0.253  1.0
  S  S35  1  0.500  0.604  0.747  1.0
  S  S36  1  0.000  0.417  0.425  1.0
  S  S37  1  0.000  0.583  0.575  1.0
  S  S38  1  0.500  0.083  0.925  1.0
  S  S39  1  0.500  0.917  0.075  1.0
[/CIF]
.
The material structure described by Y3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 YS7 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 Y(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. 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 Y(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 Y(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 Y(2), two equivalent Y(1), and two equivalent Y(3) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with four equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(2)Y5 trigonal bipyramids, and  an edgeedge with one S(1)Y3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Y(1), two equivalent Y(2), and two equivalent Cr(2) atoms to form distorted SY3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(3)Y4Cr trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid, edges with two equivalent S(5)Y5 trigonal bipyramids, edges with three equivalent S(6)Y3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Y3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Y(3), two equivalent Y(1), and one Cr(2) atom to form distorted SY3Cr trigonal pyramids that share corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with two equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(2)Y5 trigonal bipyramids, corners with three equivalent S(4)Y3Cr2 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(6)Y3Cr2 trigonal bipyramids, and  a faceface with one S(2)Y5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Y(3), two equivalent Y(1), and two equivalent Y(2) atoms to form distorted SY5 trigonal bipyramids that share  a cornercorner with one S(4)Y3Cr2 trigonal bipyramid, corners with two equivalent S(5)Y5 trigonal bipyramids, corners with four equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(3)Y4Cr trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Y4Cr trigonal bipyramid, edges with two equivalent S(4)Y3Cr2 trigonal bipyramids, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with three equivalent S(5)Y5 trigonal bipyramids, and  a faceface with one S(1)Y3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Y(2), two equivalent Y(3), and one Cr(1) atom to form distorted SY4Cr trigonal bipyramids that share  a cornercorner with one S(3)Y4Cr trigonal bipyramid, corners with two equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(2)Y5 trigonal bipyramids, corners with four equivalent S(5)Y5 trigonal bipyramids, corners with two equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(6)Y3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Y5 trigonal bipyramid,  an edgeedge with one S(5)Y5 trigonal bipyramid, edges with two equivalent S(3)Y4Cr trigonal bipyramids, and edges with four equivalent S(4)Y3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Y(1), one Y(2), one Y(3), and two equivalent Cr(1) atoms to form distorted SY3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Y5 trigonal bipyramid,  a cornercorner with one S(5)Y5 trigonal bipyramid, corners with three equivalent S(6)Y3Cr2 trigonal bipyramids, corners with four equivalent S(4)Y3Cr2 trigonal bipyramids, corners with three equivalent S(1)Y3Cr trigonal pyramids,  an edgeedge with one S(4)Y3Cr2 trigonal bipyramid, edges with two equivalent S(2)Y5 trigonal bipyramids, edges with two equivalent S(5)Y5 trigonal bipyramids, and edges with four equivalent S(3)Y4Cr trigonal bipyramids. is represented by the CIF file [CIF]
data_Y3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   13.318
_cell_length_c   15.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   801.259
_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
  Y  Y0  1  0.000  0.549  0.279  1.0
  Y  Y1  1  0.000  0.451  0.721  1.0
  Y  Y2  1  0.500  0.951  0.779  1.0
  Y  Y3  1  0.500  0.049  0.221  1.0
  Y  Y4  1  0.000  0.757  0.099  1.0
  Y  Y5  1  0.000  0.243  0.901  1.0
  Y  Y6  1  0.500  0.743  0.599  1.0
  Y  Y7  1  0.500  0.257  0.401  1.0
  Y  Y8  1  0.000  0.318  0.147  1.0
  Y  Y9  1  0.000  0.682  0.853  1.0
  Y  Y10  1  0.500  0.182  0.647  1.0
  Y  Y11  1  0.500  0.818  0.353  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  0.120  0.108  1.0
  S  S17  1  0.000  0.880  0.892  1.0
  S  S18  1  0.500  0.380  0.608  1.0
  S  S19  1  0.500  0.620  0.392  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  0.180  0.520  1.0
  S  S25  1  0.000  0.820  0.480  1.0
  S  S26  1  0.500  0.320  0.020  1.0
  S  S27  1  0.500  0.680  0.980  1.0
  S  S28  1  0.000  0.521  0.097  1.0
  S  S29  1  0.000  0.479  0.903  1.0
  S  S30  1  0.500  0.979  0.597  1.0
  S  S31  1  0.500  0.021  0.403  1.0
  S  S32  1  0.000  0.104  0.753  1.0
  S  S33  1  0.000  0.896  0.247  1.0
  S  S34  1  0.500  0.396  0.253  1.0
  S  S35  1  0.500  0.604  0.747  1.0
  S  S36  1  0.000  0.417  0.425  1.0
  S  S37  1  0.000  0.583  0.575  1.0
  S  S38  1  0.500  0.083  0.925  1.0
  S  S39  1  0.500  0.917  0.075  1.0
[/CIF]
.