The material described by YbDyS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. Dy(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing DyS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Yb(1) and two equivalent Dy(1) atoms to form distorted SYb3Dy2 square pyramids that share corners with three equivalent S(3)Yb3Dy2 square pyramids, corners with five equivalent S(2)Yb2Dy3 square pyramids, corners with eight equivalent S(1)Yb3Dy2 square pyramids, edges with two equivalent S(2)Yb2Dy3 square pyramids, edges with five equivalent S(3)Yb3Dy2 square pyramids, and  a faceface with one S(2)Yb2Dy3 square pyramid. In the second S site, S(2) is bonded to two equivalent Yb(1) and three equivalent Dy(1) atoms to form SYb2Dy3 square pyramids that share corners with five equivalent S(1)Yb3Dy2 square pyramids, corners with eight equivalent S(3)Yb3Dy2 square pyramids, edges with two equivalent S(1)Yb3Dy2 square pyramids, edges with two equivalent S(3)Yb3Dy2 square pyramids, edges with four equivalent S(2)Yb2Dy3 square pyramids, and  a faceface with one S(1)Yb3Dy2 square pyramid. In the third S site, S(3) is bonded to three equivalent Yb(1) and two equivalent Dy(1) atoms to form distorted SYb3Dy2 square pyramids that share corners with three equivalent S(1)Yb3Dy2 square pyramids, corners with eight equivalent S(2)Yb2Dy3 square pyramids, edges with two equivalent S(2)Yb2Dy3 square pyramids, edges with four equivalent S(3)Yb3Dy2 square pyramids, and edges with five equivalent S(1)Yb3Dy2 square pyramids. is represented by the CIF card [CIF]
data_YbDyS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   10.343
_cell_length_c   10.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.633
_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  0.750  0.499  0.688  1.0
  Yb  Yb1  1  0.750  0.001  0.188  1.0
  Yb  Yb2  1  0.250  0.501  0.312  1.0
  Yb  Yb3  1  0.250  0.999  0.812  1.0
  Dy  Dy4  1  0.250  0.189  0.496  1.0
  Dy  Dy5  1  0.250  0.311  0.996  1.0
  Dy  Dy6  1  0.750  0.811  0.504  1.0
  Dy  Dy7  1  0.750  0.689  0.004  1.0
  S  S8  1  0.250  0.298  0.734  1.0
  S  S9  1  0.250  0.202  0.234  1.0
  S  S10  1  0.750  0.702  0.266  1.0
  S  S11  1  0.750  0.798  0.766  1.0
  S  S12  1  0.750  0.057  0.621  1.0
  S  S13  1  0.750  0.443  0.121  1.0
  S  S14  1  0.250  0.943  0.379  1.0
  S  S15  1  0.250  0.557  0.879  1.0
  S  S16  1  0.250  0.633  0.546  1.0
  S  S17  1  0.250  0.867  0.046  1.0
  S  S18  1  0.750  0.367  0.454  1.0
  S  S19  1  0.750  0.133  0.954  1.0
[/CIF]
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The material described by YbDyS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. Dy(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing DyS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Yb(1) and two equivalent Dy(1) atoms to form distorted SYb3Dy2 square pyramids that share corners with three equivalent S(3)Yb3Dy2 square pyramids, corners with five equivalent S(2)Yb2Dy3 square pyramids, corners with eight equivalent S(1)Yb3Dy2 square pyramids, edges with two equivalent S(2)Yb2Dy3 square pyramids, edges with five equivalent S(3)Yb3Dy2 square pyramids, and  a faceface with one S(2)Yb2Dy3 square pyramid. In the second S site, S(2) is bonded to two equivalent Yb(1) and three equivalent Dy(1) atoms to form SYb2Dy3 square pyramids that share corners with five equivalent S(1)Yb3Dy2 square pyramids, corners with eight equivalent S(3)Yb3Dy2 square pyramids, edges with two equivalent S(1)Yb3Dy2 square pyramids, edges with two equivalent S(3)Yb3Dy2 square pyramids, edges with four equivalent S(2)Yb2Dy3 square pyramids, and  a faceface with one S(1)Yb3Dy2 square pyramid. In the third S site, S(3) is bonded to three equivalent Yb(1) and two equivalent Dy(1) atoms to form distorted SYb3Dy2 square pyramids that share corners with three equivalent S(1)Yb3Dy2 square pyramids, corners with eight equivalent S(2)Yb2Dy3 square pyramids, edges with two equivalent S(2)Yb2Dy3 square pyramids, edges with four equivalent S(3)Yb3Dy2 square pyramids, and edges with five equivalent S(1)Yb3Dy2 square pyramids. is represented by the CIF card [CIF]
data_YbDyS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   10.343
_cell_length_c   10.742
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.633
_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  0.750  0.499  0.688  1.0
  Yb  Yb1  1  0.750  0.001  0.188  1.0
  Yb  Yb2  1  0.250  0.501  0.312  1.0
  Yb  Yb3  1  0.250  0.999  0.812  1.0
  Dy  Dy4  1  0.250  0.189  0.496  1.0
  Dy  Dy5  1  0.250  0.311  0.996  1.0
  Dy  Dy6  1  0.750  0.811  0.504  1.0
  Dy  Dy7  1  0.750  0.689  0.004  1.0
  S  S8  1  0.250  0.298  0.734  1.0
  S  S9  1  0.250  0.202  0.234  1.0
  S  S10  1  0.750  0.702  0.266  1.0
  S  S11  1  0.750  0.798  0.766  1.0
  S  S12  1  0.750  0.057  0.621  1.0
  S  S13  1  0.750  0.443  0.121  1.0
  S  S14  1  0.250  0.943  0.379  1.0
  S  S15  1  0.250  0.557  0.879  1.0
  S  S16  1  0.250  0.633  0.546  1.0
  S  S17  1  0.250  0.867  0.046  1.0
  S  S18  1  0.750  0.367  0.454  1.0
  S  S19  1  0.750  0.133  0.954  1.0
[/CIF]
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