The crystal structure described by Dy3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Dy site, Dy(2) is bonded to one N(1), two equivalent S(3), and three equivalent S(2) atoms to form distorted edge-sharing DyS5N octahedra. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. N(1) is bonded to one Dy(1), one Dy(2), and two equivalent Dy(3) atoms to form NDy4 tetrahedra that share corners with two equivalent S(1)Dy5 square pyramids, corners with two equivalent N(1)Dy4 tetrahedra, and edges with three equivalent S(1)Dy5 square pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and three equivalent Dy(3) atoms to form SDy5 square pyramids that share corners with two equivalent N(1)Dy4 tetrahedra, edges with four equivalent S(1)Dy5 square pyramids, and edges with three equivalent N(1)Dy4 tetrahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Dy(3), two equivalent Dy(1), and three equivalent Dy(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Dy(3), two equivalent Dy(1), and two equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.811
_cell_length_b   11.920
_cell_length_c   12.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   585.025
_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
  Dy  Dy0  1  0.250  0.710  0.359  1.0
  Dy  Dy1  1  0.750  0.935  0.632  1.0
  Dy  Dy2  1  0.750  0.790  0.859  1.0
  Dy  Dy3  1  0.750  0.435  0.868  1.0
  Dy  Dy4  1  0.750  0.952  0.143  1.0
  Dy  Dy5  1  0.250  0.210  0.141  1.0
  Dy  Dy6  1  0.750  0.452  0.357  1.0
  Dy  Dy7  1  0.250  0.065  0.368  1.0
  Dy  Dy8  1  0.750  0.290  0.641  1.0
  Dy  Dy9  1  0.250  0.548  0.643  1.0
  Dy  Dy10  1  0.250  0.048  0.857  1.0
  Dy  Dy11  1  0.250  0.565  0.132  1.0
  S  S12  1  0.750  0.633  0.490  1.0
  S  S13  1  0.750  0.133  0.010  1.0
  S  S14  1  0.250  0.594  0.902  1.0
  S  S15  1  0.750  0.724  0.192  1.0
  S  S16  1  0.750  0.906  0.402  1.0
  S  S17  1  0.250  0.776  0.692  1.0
  S  S18  1  0.750  0.406  0.098  1.0
  S  S19  1  0.250  0.094  0.598  1.0
  S  S20  1  0.250  0.276  0.808  1.0
  S  S21  1  0.250  0.867  0.990  1.0
  S  S22  1  0.250  0.367  0.510  1.0
  S  S23  1  0.750  0.224  0.308  1.0
  N  N24  1  0.250  0.533  0.298  1.0
  N  N25  1  0.750  0.967  0.798  1.0
  N  N26  1  0.250  0.033  0.202  1.0
  N  N27  1  0.750  0.467  0.702  1.0
[/CIF]
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The crystal structure described by Dy3NS3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Dy site, Dy(2) is bonded to one N(1), two equivalent S(3), and three equivalent S(2) atoms to form distorted edge-sharing DyS5N octahedra. In the third Dy site, Dy(3) is bonded in a 6-coordinate geometry to two equivalent N(1), one S(2), one S(3), and three equivalent S(1) atoms. N(1) is bonded to one Dy(1), one Dy(2), and two equivalent Dy(3) atoms to form NDy4 tetrahedra that share corners with two equivalent S(1)Dy5 square pyramids, corners with two equivalent N(1)Dy4 tetrahedra, and edges with three equivalent S(1)Dy5 square pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and three equivalent Dy(3) atoms to form SDy5 square pyramids that share corners with two equivalent N(1)Dy4 tetrahedra, edges with four equivalent S(1)Dy5 square pyramids, and edges with three equivalent N(1)Dy4 tetrahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Dy(3), two equivalent Dy(1), and three equivalent Dy(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Dy(3), two equivalent Dy(1), and two equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.811
_cell_length_b   11.920
_cell_length_c   12.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   585.025
_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
  Dy  Dy0  1  0.250  0.710  0.359  1.0
  Dy  Dy1  1  0.750  0.935  0.632  1.0
  Dy  Dy2  1  0.750  0.790  0.859  1.0
  Dy  Dy3  1  0.750  0.435  0.868  1.0
  Dy  Dy4  1  0.750  0.952  0.143  1.0
  Dy  Dy5  1  0.250  0.210  0.141  1.0
  Dy  Dy6  1  0.750  0.452  0.357  1.0
  Dy  Dy7  1  0.250  0.065  0.368  1.0
  Dy  Dy8  1  0.750  0.290  0.641  1.0
  Dy  Dy9  1  0.250  0.548  0.643  1.0
  Dy  Dy10  1  0.250  0.048  0.857  1.0
  Dy  Dy11  1  0.250  0.565  0.132  1.0
  S  S12  1  0.750  0.633  0.490  1.0
  S  S13  1  0.750  0.133  0.010  1.0
  S  S14  1  0.250  0.594  0.902  1.0
  S  S15  1  0.750  0.724  0.192  1.0
  S  S16  1  0.750  0.906  0.402  1.0
  S  S17  1  0.250  0.776  0.692  1.0
  S  S18  1  0.750  0.406  0.098  1.0
  S  S19  1  0.250  0.094  0.598  1.0
  S  S20  1  0.250  0.276  0.808  1.0
  S  S21  1  0.250  0.867  0.990  1.0
  S  S22  1  0.250  0.367  0.510  1.0
  S  S23  1  0.750  0.224  0.308  1.0
  N  N24  1  0.250  0.533  0.298  1.0
  N  N25  1  0.750  0.967  0.798  1.0
  N  N26  1  0.250  0.033  0.202  1.0
  N  N27  1  0.750  0.467  0.702  1.0
[/CIF]
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