The compound described by Tb3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(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 Tb site, Tb(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 TbS7 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 Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. 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 Tb(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 Tb(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 Tb(2), two equivalent Tb(1), and two equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share  a cornercorner with one S(4)Tb3Cr2 trigonal bipyramid, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(3)Tb4Cr trigonal bipyramids, corners with four equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid, edges with two equivalent S(4)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(6)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(5)Tb5 trigonal bipyramids, edges with three equivalent S(2)Tb5 trigonal bipyramids, and  an edgeedge with one S(1)Tb3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Tb(1), two equivalent Tb(2), and two equivalent Cr(2) atoms to form distorted STb3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with two equivalent S(3)Tb4Cr trigonal bipyramids, corners with three equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid,  an edgeedge with one S(2)Tb5 trigonal bipyramid, edges with two equivalent S(5)Tb5 trigonal bipyramids, edges with three equivalent S(6)Tb3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Tb3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Tb(3), two equivalent Tb(1), and one Cr(2) atom to form distorted STb3Cr trigonal pyramids that share corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with two equivalent S(3)Tb4Cr trigonal bipyramids, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with three equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(5)Tb5 trigonal bipyramids, corners with three equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(5)Tb5 trigonal bipyramid, edges with two equivalent S(6)Tb3Cr2 trigonal bipyramids, and  a faceface with one S(2)Tb5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Tb(3), two equivalent Tb(1), and two equivalent Tb(2) atoms to form distorted STb5 trigonal bipyramids that share  a cornercorner with one S(4)Tb3Cr2 trigonal bipyramid, corners with two equivalent S(5)Tb5 trigonal bipyramids, corners with four equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(3)Tb4Cr trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(6)Tb3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid, edges with two equivalent S(4)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(2)Tb5 trigonal bipyramids, edges with three equivalent S(5)Tb5 trigonal bipyramids, and  a faceface with one S(1)Tb3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Tb(2), two equivalent Tb(3), and one Cr(1) atom to form distorted STb4Cr trigonal bipyramids that share  a cornercorner with one S(3)Tb4Cr trigonal bipyramid, corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(5)Tb5 trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(6)Tb3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Tb5 trigonal bipyramid,  an edgeedge with one S(5)Tb5 trigonal bipyramid, edges with two equivalent S(3)Tb4Cr trigonal bipyramids, and edges with four equivalent S(4)Tb3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Tb(1), one Tb(2), one Tb(3), and two equivalent Cr(1) atoms to form distorted STb3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Tb5 trigonal bipyramid,  a cornercorner with one S(5)Tb5 trigonal bipyramid, corners with three equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with three equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(4)Tb3Cr2 trigonal bipyramid, edges with two equivalent S(2)Tb5 trigonal bipyramids, edges with two equivalent S(5)Tb5 trigonal bipyramids, and edges with four equivalent S(3)Tb4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_Tb3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.779
_cell_length_b   13.336
_cell_length_c   15.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   804.793
_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
  Tb  Tb0  1  0.000  0.550  0.279  1.0
  Tb  Tb1  1  0.000  0.450  0.721  1.0
  Tb  Tb2  1  0.500  0.950  0.779  1.0
  Tb  Tb3  1  0.500  0.050  0.221  1.0
  Tb  Tb4  1  0.000  0.757  0.098  1.0
  Tb  Tb5  1  0.000  0.243  0.902  1.0
  Tb  Tb6  1  0.500  0.743  0.598  1.0
  Tb  Tb7  1  0.500  0.257  0.402  1.0
  Tb  Tb8  1  0.000  0.319  0.148  1.0
  Tb  Tb9  1  0.000  0.681  0.852  1.0
  Tb  Tb10  1  0.500  0.181  0.648  1.0
  Tb  Tb11  1  0.500  0.819  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  0.120  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  0.522  0.097  1.0
  S  S29  1  0.000  0.478  0.903  1.0
  S  S30  1  0.500  0.978  0.597  1.0
  S  S31  1  0.500  0.022  0.403  1.0
  S  S32  1  0.000  0.103  0.753  1.0
  S  S33  1  0.000  0.897  0.247  1.0
  S  S34  1  0.500  0.397  0.253  1.0
  S  S35  1  0.500  0.603  0.747  1.0
  S  S36  1  0.000  0.418  0.425  1.0
  S  S37  1  0.000  0.582  0.575  1.0
  S  S38  1  0.500  0.082  0.925  1.0
  S  S39  1  0.500  0.918  0.075  1.0
[/CIF]
.
The compound described by Tb3CrS6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(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 Tb site, Tb(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 TbS7 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 Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. 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 Tb(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 Tb(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 Tb(2), two equivalent Tb(1), and two equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share  a cornercorner with one S(4)Tb3Cr2 trigonal bipyramid, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(3)Tb4Cr trigonal bipyramids, corners with four equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid, edges with two equivalent S(4)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(6)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(5)Tb5 trigonal bipyramids, edges with three equivalent S(2)Tb5 trigonal bipyramids, and  an edgeedge with one S(1)Tb3Cr trigonal pyramid. In the second S site, S(6) is bonded to one Tb(1), two equivalent Tb(2), and two equivalent Cr(2) atoms to form distorted STb3Cr2 trigonal bipyramids that share corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with two equivalent S(3)Tb4Cr trigonal bipyramids, corners with three equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid,  an edgeedge with one S(2)Tb5 trigonal bipyramid, edges with two equivalent S(5)Tb5 trigonal bipyramids, edges with three equivalent S(6)Tb3Cr2 trigonal bipyramids, and edges with two equivalent S(1)Tb3Cr trigonal pyramids. In the third S site, S(1) is bonded to one Tb(3), two equivalent Tb(1), and one Cr(2) atom to form distorted STb3Cr trigonal pyramids that share corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with two equivalent S(3)Tb4Cr trigonal bipyramids, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with three equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(5)Tb5 trigonal bipyramids, corners with three equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(5)Tb5 trigonal bipyramid, edges with two equivalent S(6)Tb3Cr2 trigonal bipyramids, and  a faceface with one S(2)Tb5 trigonal bipyramid. In the fourth S site, S(2) is bonded to one Tb(3), two equivalent Tb(1), and two equivalent Tb(2) atoms to form distorted STb5 trigonal bipyramids that share  a cornercorner with one S(4)Tb3Cr2 trigonal bipyramid, corners with two equivalent S(5)Tb5 trigonal bipyramids, corners with four equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(3)Tb4Cr trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(6)Tb3Cr2 trigonal bipyramid,  an edgeedge with one S(3)Tb4Cr trigonal bipyramid, edges with two equivalent S(4)Tb3Cr2 trigonal bipyramids, edges with two equivalent S(2)Tb5 trigonal bipyramids, edges with three equivalent S(5)Tb5 trigonal bipyramids, and  a faceface with one S(1)Tb3Cr trigonal pyramid. In the fifth S site, S(3) is bonded to two equivalent Tb(2), two equivalent Tb(3), and one Cr(1) atom to form distorted STb4Cr trigonal bipyramids that share  a cornercorner with one S(3)Tb4Cr trigonal bipyramid, corners with two equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(5)Tb5 trigonal bipyramids, corners with two equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(6)Tb3Cr2 trigonal bipyramid,  an edgeedge with one S(2)Tb5 trigonal bipyramid,  an edgeedge with one S(5)Tb5 trigonal bipyramid, edges with two equivalent S(3)Tb4Cr trigonal bipyramids, and edges with four equivalent S(4)Tb3Cr2 trigonal bipyramids. In the sixth S site, S(4) is bonded to one Tb(1), one Tb(2), one Tb(3), and two equivalent Cr(1) atoms to form distorted STb3Cr2 trigonal bipyramids that share  a cornercorner with one S(2)Tb5 trigonal bipyramid,  a cornercorner with one S(5)Tb5 trigonal bipyramid, corners with three equivalent S(6)Tb3Cr2 trigonal bipyramids, corners with four equivalent S(4)Tb3Cr2 trigonal bipyramids, corners with three equivalent S(1)Tb3Cr trigonal pyramids,  an edgeedge with one S(4)Tb3Cr2 trigonal bipyramid, edges with two equivalent S(2)Tb5 trigonal bipyramids, edges with two equivalent S(5)Tb5 trigonal bipyramids, and edges with four equivalent S(3)Tb4Cr trigonal bipyramids. is represented by the CIF card [CIF]
data_Tb3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.779
_cell_length_b   13.336
_cell_length_c   15.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   804.793
_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
  Tb  Tb0  1  0.000  0.550  0.279  1.0
  Tb  Tb1  1  0.000  0.450  0.721  1.0
  Tb  Tb2  1  0.500  0.950  0.779  1.0
  Tb  Tb3  1  0.500  0.050  0.221  1.0
  Tb  Tb4  1  0.000  0.757  0.098  1.0
  Tb  Tb5  1  0.000  0.243  0.902  1.0
  Tb  Tb6  1  0.500  0.743  0.598  1.0
  Tb  Tb7  1  0.500  0.257  0.402  1.0
  Tb  Tb8  1  0.000  0.319  0.148  1.0
  Tb  Tb9  1  0.000  0.681  0.852  1.0
  Tb  Tb10  1  0.500  0.181  0.648  1.0
  Tb  Tb11  1  0.500  0.819  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  0.120  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  0.522  0.097  1.0
  S  S29  1  0.000  0.478  0.903  1.0
  S  S30  1  0.500  0.978  0.597  1.0
  S  S31  1  0.500  0.022  0.403  1.0
  S  S32  1  0.000  0.103  0.753  1.0
  S  S33  1  0.000  0.897  0.247  1.0
  S  S34  1  0.500  0.397  0.253  1.0
  S  S35  1  0.500  0.603  0.747  1.0
  S  S36  1  0.000  0.418  0.425  1.0
  S  S37  1  0.000  0.582  0.575  1.0
  S  S38  1  0.500  0.082  0.925  1.0
  S  S39  1  0.500  0.918  0.075  1.0
[/CIF]
.