The material structure described by DyCeS3 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. Ce(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and two equivalent Ce(1) atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with six equivalent S(2)Ce4Dy square pyramids, corners with seven equivalent S(3)Ce2Dy3 trigonal bipyramids,  an edgeedge with one S(2)Ce4Dy square pyramid, edges with three equivalent S(3)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(1)Ce2Dy3 trigonal bipyramids, and  a faceface with one S(2)Ce4Dy square pyramid. In the second S site, S(2) is bonded to one Dy(1) and four equivalent Ce(1) atoms to form distorted SCe4Dy square pyramids that share corners with four equivalent S(2)Ce4Dy square pyramids, corners with three equivalent S(3)Ce2Dy3 trigonal bipyramids, corners with six equivalent S(1)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(2)Ce4Dy square pyramids,  an edgeedge with one S(1)Ce2Dy3 trigonal bipyramid, edges with four equivalent S(3)Ce2Dy3 trigonal bipyramids, and  a faceface with one S(1)Ce2Dy3 trigonal bipyramid. In the third S site, S(3) is bonded to three equivalent Dy(1) and two equivalent Ce(1) atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with three equivalent S(2)Ce4Dy square pyramids, corners with four equivalent S(3)Ce2Dy3 trigonal bipyramids, corners with seven equivalent S(1)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(2)Ce4Dy square pyramids, edges with two equivalent S(3)Ce2Dy3 trigonal bipyramids, and edges with three equivalent S(1)Ce2Dy3 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeDyS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   7.435
_cell_length_c   15.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.661
_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
  Ce  Ce0  1  0.750  0.360  0.297  1.0
  Ce  Ce1  1  0.250  0.640  0.703  1.0
  Ce  Ce2  1  0.750  0.860  0.203  1.0
  Ce  Ce3  1  0.250  0.140  0.797  1.0
  Dy  Dy4  1  0.750  0.732  0.957  1.0
  Dy  Dy5  1  0.250  0.268  0.043  1.0
  Dy  Dy6  1  0.750  0.232  0.543  1.0
  Dy  Dy7  1  0.250  0.768  0.457  1.0
  S  S8  1  0.250  0.373  0.438  1.0
  S  S9  1  0.750  0.627  0.562  1.0
  S  S10  1  0.250  0.873  0.062  1.0
  S  S11  1  0.750  0.127  0.938  1.0
  S  S12  1  0.250  0.151  0.217  1.0
  S  S13  1  0.750  0.849  0.783  1.0
  S  S14  1  0.250  0.651  0.283  1.0
  S  S15  1  0.750  0.349  0.717  1.0
  S  S16  1  0.750  0.486  0.105  1.0
  S  S17  1  0.250  0.514  0.895  1.0
  S  S18  1  0.750  0.986  0.395  1.0
  S  S19  1  0.250  0.014  0.605  1.0
[/CIF]
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The material structure described by DyCeS3 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded to one S(2), three equivalent S(1), and three equivalent S(3) atoms to form distorted edge-sharing DyS7 pentagonal bipyramids. Ce(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and two equivalent Ce(1) atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with six equivalent S(2)Ce4Dy square pyramids, corners with seven equivalent S(3)Ce2Dy3 trigonal bipyramids,  an edgeedge with one S(2)Ce4Dy square pyramid, edges with three equivalent S(3)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(1)Ce2Dy3 trigonal bipyramids, and  a faceface with one S(2)Ce4Dy square pyramid. In the second S site, S(2) is bonded to one Dy(1) and four equivalent Ce(1) atoms to form distorted SCe4Dy square pyramids that share corners with four equivalent S(2)Ce4Dy square pyramids, corners with three equivalent S(3)Ce2Dy3 trigonal bipyramids, corners with six equivalent S(1)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(2)Ce4Dy square pyramids,  an edgeedge with one S(1)Ce2Dy3 trigonal bipyramid, edges with four equivalent S(3)Ce2Dy3 trigonal bipyramids, and  a faceface with one S(1)Ce2Dy3 trigonal bipyramid. In the third S site, S(3) is bonded to three equivalent Dy(1) and two equivalent Ce(1) atoms to form distorted SCe2Dy3 trigonal bipyramids that share corners with three equivalent S(2)Ce4Dy square pyramids, corners with four equivalent S(3)Ce2Dy3 trigonal bipyramids, corners with seven equivalent S(1)Ce2Dy3 trigonal bipyramids, edges with four equivalent S(2)Ce4Dy square pyramids, edges with two equivalent S(3)Ce2Dy3 trigonal bipyramids, and edges with three equivalent S(1)Ce2Dy3 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeDyS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   7.435
_cell_length_c   15.320
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.661
_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
  Ce  Ce0  1  0.750  0.360  0.297  1.0
  Ce  Ce1  1  0.250  0.640  0.703  1.0
  Ce  Ce2  1  0.750  0.860  0.203  1.0
  Ce  Ce3  1  0.250  0.140  0.797  1.0
  Dy  Dy4  1  0.750  0.732  0.957  1.0
  Dy  Dy5  1  0.250  0.268  0.043  1.0
  Dy  Dy6  1  0.750  0.232  0.543  1.0
  Dy  Dy7  1  0.250  0.768  0.457  1.0
  S  S8  1  0.250  0.373  0.438  1.0
  S  S9  1  0.750  0.627  0.562  1.0
  S  S10  1  0.250  0.873  0.062  1.0
  S  S11  1  0.750  0.127  0.938  1.0
  S  S12  1  0.250  0.151  0.217  1.0
  S  S13  1  0.750  0.849  0.783  1.0
  S  S14  1  0.250  0.651  0.283  1.0
  S  S15  1  0.750  0.349  0.717  1.0
  S  S16  1  0.750  0.486  0.105  1.0
  S  S17  1  0.250  0.514  0.895  1.0
  S  S18  1  0.750  0.986  0.395  1.0
  S  S19  1  0.250  0.014  0.605  1.0
[/CIF]
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