The material structure described by YbSm2CuS5 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(3) atoms to form YbS6 octahedra that share corners with three equivalent Cu(1)S4 tetrahedra and edges with two equivalent Yb(1)S6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(5), and three equivalent S(3) atoms. In the second Sm site, Sm(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 to one S(2) and three equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-83°. There are five inequivalent S sites. In the first S site, S(5) is bonded to one Yb(1), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SYbSm4 square pyramids that share corners with three equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(3)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids,  an edgeedge with one S(4)YbSm2Cu3 octahedra, edges with two equivalent S(5)YbSm4 square pyramids, edges with two equivalent S(2)Sm4Cu trigonal bipyramids, edges with three equivalent S(3)Yb2Sm3 trigonal bipyramids, and edges with four equivalent S(1)Yb2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-39°. In the second S site, S(1) is bonded to two equivalent Yb(1), one Sm(1), and two equivalent Sm(2) atoms to form distorted SYb2Sm3 trigonal bipyramids that share corners with two equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(2)Sm4Cu trigonal bipyramids, corners with four equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with five equivalent S(3)Yb2Sm3 trigonal bipyramids, edges with two equivalent S(4)YbSm2Cu3 octahedra, edges with four equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(3)Yb2Sm3 trigonal bipyramid, and edges with two equivalent S(2)Sm4Cu trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cu(1) atom to form distorted SSm4Cu trigonal bipyramids that share corners with four equivalent S(4)YbSm2Cu3 octahedra, corners with four equivalent S(5)YbSm4 square pyramids, corners with two equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(3)Yb2Sm3 trigonal bipyramids, edges with two equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(3)Yb2Sm3 trigonal bipyramid, edges with two equivalent S(2)Sm4Cu trigonal bipyramids, edges with two equivalent S(1)Yb2Sm3 trigonal bipyramids, and  a faceface with one S(4)YbSm2Cu3 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the fourth S site, S(3) is bonded to two equivalent Yb(1) and three equivalent Sm(1) atoms to form distorted SYb2Sm3 trigonal bipyramids that share corners with two equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(5)YbSm4 square pyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids, corners with five equivalent S(1)Yb2Sm3 trigonal bipyramids, edges with three equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(2)Sm4Cu trigonal bipyramid,  an edgeedge with one S(1)Yb2Sm3 trigonal bipyramid, and edges with four equivalent S(3)Yb2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 81°. In the fifth S site, S(4) is bonded to one Yb(1), two equivalent Sm(2), and three equivalent Cu(1) atoms to form distorted SYbSm2Cu3 octahedra that share corners with three equivalent S(5)YbSm4 square pyramids, corners with two equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with two equivalent S(3)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids, edges with four equivalent S(4)YbSm2Cu3 octahedra,  an edgeedge with one S(5)YbSm4 square pyramid, edges with two equivalent S(1)Yb2Sm3 trigonal bipyramids, and  a faceface with one S(2)Sm4Cu trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSm2CuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   11.710
_cell_length_c   16.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.477
_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
  Yb  Yb0  1  0.250  0.802  0.370  1.0
  Yb  Yb1  1  0.250  0.302  0.130  1.0
  Yb  Yb2  1  0.750  0.198  0.630  1.0
  Yb  Yb3  1  0.750  0.698  0.870  1.0
  Sm  Sm4  1  0.250  0.873  0.602  1.0
  Sm  Sm5  1  0.250  0.373  0.898  1.0
  Sm  Sm6  1  0.750  0.127  0.398  1.0
  Sm  Sm7  1  0.750  0.627  0.102  1.0
  Sm  Sm8  1  0.750  0.964  0.185  1.0
  Sm  Sm9  1  0.750  0.464  0.315  1.0
  Sm  Sm10  1  0.250  0.036  0.815  1.0
  Sm  Sm11  1  0.250  0.536  0.685  1.0
  Cu  Cu12  1  0.750  0.588  0.497  1.0
  Cu  Cu13  1  0.750  0.088  0.003  1.0
  Cu  Cu14  1  0.250  0.412  0.503  1.0
  Cu  Cu15  1  0.250  0.912  0.997  1.0
  S  S16  1  0.750  0.734  0.265  1.0
  S  S17  1  0.750  0.234  0.235  1.0
  S  S18  1  0.250  0.266  0.735  1.0
  S  S19  1  0.250  0.766  0.765  1.0
  S  S20  1  0.250  0.812  0.114  1.0
  S  S21  1  0.250  0.312  0.386  1.0
  S  S22  1  0.750  0.188  0.886  1.0
  S  S23  1  0.750  0.688  0.614  1.0
  S  S24  1  0.750  0.887  0.476  1.0
  S  S25  1  0.750  0.387  0.024  1.0
  S  S26  1  0.250  0.113  0.524  1.0
  S  S27  1  0.250  0.613  0.976  1.0
  S  S28  1  0.250  0.579  0.420  1.0
  S  S29  1  0.250  0.079  0.080  1.0
  S  S30  1  0.750  0.421  0.580  1.0
  S  S31  1  0.750  0.921  0.920  1.0
  S  S32  1  0.250  0.010  0.302  1.0
  S  S33  1  0.250  0.510  0.198  1.0
  S  S34  1  0.750  0.990  0.698  1.0
  S  S35  1  0.750  0.490  0.802  1.0
[/CIF]
.
The material structure described by YbSm2CuS5 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(3) atoms to form YbS6 octahedra that share corners with three equivalent Cu(1)S4 tetrahedra and edges with two equivalent Yb(1)S6 octahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(5), and three equivalent S(3) atoms. In the second Sm site, Sm(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 to one S(2) and three equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with three equivalent Yb(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-83°. There are five inequivalent S sites. In the first S site, S(5) is bonded to one Yb(1), two equivalent Sm(1), and two equivalent Sm(2) atoms to form SYbSm4 square pyramids that share corners with three equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(3)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids,  an edgeedge with one S(4)YbSm2Cu3 octahedra, edges with two equivalent S(5)YbSm4 square pyramids, edges with two equivalent S(2)Sm4Cu trigonal bipyramids, edges with three equivalent S(3)Yb2Sm3 trigonal bipyramids, and edges with four equivalent S(1)Yb2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-39°. In the second S site, S(1) is bonded to two equivalent Yb(1), one Sm(1), and two equivalent Sm(2) atoms to form distorted SYb2Sm3 trigonal bipyramids that share corners with two equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(2)Sm4Cu trigonal bipyramids, corners with four equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with five equivalent S(3)Yb2Sm3 trigonal bipyramids, edges with two equivalent S(4)YbSm2Cu3 octahedra, edges with four equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(3)Yb2Sm3 trigonal bipyramid, and edges with two equivalent S(2)Sm4Cu trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), and one Cu(1) atom to form distorted SSm4Cu trigonal bipyramids that share corners with four equivalent S(4)YbSm2Cu3 octahedra, corners with four equivalent S(5)YbSm4 square pyramids, corners with two equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(3)Yb2Sm3 trigonal bipyramids, edges with two equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(3)Yb2Sm3 trigonal bipyramid, edges with two equivalent S(2)Sm4Cu trigonal bipyramids, edges with two equivalent S(1)Yb2Sm3 trigonal bipyramids, and  a faceface with one S(4)YbSm2Cu3 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the fourth S site, S(3) is bonded to two equivalent Yb(1) and three equivalent Sm(1) atoms to form distorted SYb2Sm3 trigonal bipyramids that share corners with two equivalent S(4)YbSm2Cu3 octahedra, corners with two equivalent S(5)YbSm4 square pyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids, corners with five equivalent S(1)Yb2Sm3 trigonal bipyramids, edges with three equivalent S(5)YbSm4 square pyramids,  an edgeedge with one S(2)Sm4Cu trigonal bipyramid,  an edgeedge with one S(1)Yb2Sm3 trigonal bipyramid, and edges with four equivalent S(3)Yb2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 81°. In the fifth S site, S(4) is bonded to one Yb(1), two equivalent Sm(2), and three equivalent Cu(1) atoms to form distorted SYbSm2Cu3 octahedra that share corners with three equivalent S(5)YbSm4 square pyramids, corners with two equivalent S(1)Yb2Sm3 trigonal bipyramids, corners with two equivalent S(3)Yb2Sm3 trigonal bipyramids, corners with four equivalent S(2)Sm4Cu trigonal bipyramids, edges with four equivalent S(4)YbSm2Cu3 octahedra,  an edgeedge with one S(5)YbSm4 square pyramid, edges with two equivalent S(1)Yb2Sm3 trigonal bipyramids, and  a faceface with one S(2)Sm4Cu trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSm2CuS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   11.710
_cell_length_c   16.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.477
_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
  Yb  Yb0  1  0.250  0.802  0.370  1.0
  Yb  Yb1  1  0.250  0.302  0.130  1.0
  Yb  Yb2  1  0.750  0.198  0.630  1.0
  Yb  Yb3  1  0.750  0.698  0.870  1.0
  Sm  Sm4  1  0.250  0.873  0.602  1.0
  Sm  Sm5  1  0.250  0.373  0.898  1.0
  Sm  Sm6  1  0.750  0.127  0.398  1.0
  Sm  Sm7  1  0.750  0.627  0.102  1.0
  Sm  Sm8  1  0.750  0.964  0.185  1.0
  Sm  Sm9  1  0.750  0.464  0.315  1.0
  Sm  Sm10  1  0.250  0.036  0.815  1.0
  Sm  Sm11  1  0.250  0.536  0.685  1.0
  Cu  Cu12  1  0.750  0.588  0.497  1.0
  Cu  Cu13  1  0.750  0.088  0.003  1.0
  Cu  Cu14  1  0.250  0.412  0.503  1.0
  Cu  Cu15  1  0.250  0.912  0.997  1.0
  S  S16  1  0.750  0.734  0.265  1.0
  S  S17  1  0.750  0.234  0.235  1.0
  S  S18  1  0.250  0.266  0.735  1.0
  S  S19  1  0.250  0.766  0.765  1.0
  S  S20  1  0.250  0.812  0.114  1.0
  S  S21  1  0.250  0.312  0.386  1.0
  S  S22  1  0.750  0.188  0.886  1.0
  S  S23  1  0.750  0.688  0.614  1.0
  S  S24  1  0.750  0.887  0.476  1.0
  S  S25  1  0.750  0.387  0.024  1.0
  S  S26  1  0.250  0.113  0.524  1.0
  S  S27  1  0.250  0.613  0.976  1.0
  S  S28  1  0.250  0.579  0.420  1.0
  S  S29  1  0.250  0.079  0.080  1.0
  S  S30  1  0.750  0.421  0.580  1.0
  S  S31  1  0.750  0.921  0.920  1.0
  S  S32  1  0.250  0.010  0.302  1.0
  S  S33  1  0.250  0.510  0.198  1.0
  S  S34  1  0.750  0.990  0.698  1.0
  S  S35  1  0.750  0.490  0.802  1.0
[/CIF]
.