The material structure described by MgDy2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent Dy(1)S6 octahedra, corners with two equivalent Dy(2)S6 octahedra,  an edgeedge with one Dy(1)S6 octahedra, edges with three equivalent Dy(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form DyS6 octahedra that share corners with three equivalent Dy(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Dy(2)S6 octahedra, edges with four equivalent Dy(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 54-59°. In the second Dy site, Dy(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with three equivalent Dy(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 54-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Dy(2) atoms to form SDy2Mg3 square pyramids that share corners with two equivalent S(4)Dy3Mg2 square pyramids, edges with three equivalent S(4)Dy3Mg2 square pyramids, and edges with four equivalent S(1)Dy2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Dy(2) and three equivalent Dy(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Dy(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Dy(2), and two equivalent Dy(1) atoms to form SDy3Mg2 square pyramids that share corners with two equivalent S(1)Dy2Mg3 square pyramids, edges with two equivalent S(4)Dy3Mg2 square pyramids, and edges with three equivalent S(1)Dy2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Dy2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   12.596
_cell_length_c   13.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.990
_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  0.118  0.075  1.0
  Dy  Dy1  1  0.750  0.882  0.925  1.0
  Dy  Dy2  1  0.750  0.382  0.575  1.0
  Dy  Dy3  1  0.250  0.618  0.425  1.0
  Dy  Dy4  1  0.250  0.138  0.705  1.0
  Dy  Dy5  1  0.750  0.862  0.295  1.0
  Dy  Dy6  1  0.750  0.362  0.205  1.0
  Dy  Dy7  1  0.250  0.638  0.795  1.0
  Mg  Mg8  1  0.750  0.111  0.453  1.0
  Mg  Mg9  1  0.250  0.889  0.547  1.0
  Mg  Mg10  1  0.250  0.389  0.953  1.0
  Mg  Mg11  1  0.750  0.611  0.047  1.0
  S  S12  1  0.750  0.009  0.615  1.0
  S  S13  1  0.250  0.991  0.385  1.0
  S  S14  1  0.250  0.491  0.115  1.0
  S  S15  1  0.750  0.509  0.885  1.0
  S  S16  1  0.250  0.028  0.884  1.0
  S  S17  1  0.750  0.972  0.116  1.0
  S  S18  1  0.750  0.472  0.384  1.0
  S  S19  1  0.250  0.528  0.616  1.0
  S  S20  1  0.250  0.225  0.248  1.0
  S  S21  1  0.750  0.775  0.752  1.0
  S  S22  1  0.750  0.275  0.748  1.0
  S  S23  1  0.250  0.725  0.252  1.0
  S  S24  1  0.750  0.262  0.016  1.0
  S  S25  1  0.250  0.738  0.984  1.0
  S  S26  1  0.250  0.238  0.516  1.0
  S  S27  1  0.750  0.762  0.484  1.0
[/CIF]
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The material structure described by MgDy2S4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to two equivalent S(4) and three equivalent S(1) atoms to form MgS5 square pyramids that share corners with two equivalent Dy(1)S6 octahedra, corners with two equivalent Dy(2)S6 octahedra,  an edgeedge with one Dy(1)S6 octahedra, edges with three equivalent Dy(2)S6 octahedra, and edges with four equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form DyS6 octahedra that share corners with three equivalent Dy(2)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Dy(2)S6 octahedra, edges with four equivalent Dy(1)S6 octahedra, and  an edgeedge with one Mg(1)S5 square pyramid. The corner-sharing octahedral tilt angles range from 54-59°. In the second Dy site, Dy(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with three equivalent Dy(1)S6 octahedra, corners with two equivalent Mg(1)S5 square pyramids, edges with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with three equivalent Mg(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 54-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and two equivalent Dy(2) atoms to form SDy2Mg3 square pyramids that share corners with two equivalent S(4)Dy3Mg2 square pyramids, edges with three equivalent S(4)Dy3Mg2 square pyramids, and edges with four equivalent S(1)Dy2Mg3 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Dy(2) and three equivalent Dy(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Dy(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Dy(2), and two equivalent Dy(1) atoms to form SDy3Mg2 square pyramids that share corners with two equivalent S(1)Dy2Mg3 square pyramids, edges with two equivalent S(4)Dy3Mg2 square pyramids, and edges with three equivalent S(1)Dy2Mg3 square pyramids. is represented by the CIF card [CIF]
data_Dy2MgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   12.596
_cell_length_c   13.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.990
_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  0.118  0.075  1.0
  Dy  Dy1  1  0.750  0.882  0.925  1.0
  Dy  Dy2  1  0.750  0.382  0.575  1.0
  Dy  Dy3  1  0.250  0.618  0.425  1.0
  Dy  Dy4  1  0.250  0.138  0.705  1.0
  Dy  Dy5  1  0.750  0.862  0.295  1.0
  Dy  Dy6  1  0.750  0.362  0.205  1.0
  Dy  Dy7  1  0.250  0.638  0.795  1.0
  Mg  Mg8  1  0.750  0.111  0.453  1.0
  Mg  Mg9  1  0.250  0.889  0.547  1.0
  Mg  Mg10  1  0.250  0.389  0.953  1.0
  Mg  Mg11  1  0.750  0.611  0.047  1.0
  S  S12  1  0.750  0.009  0.615  1.0
  S  S13  1  0.250  0.991  0.385  1.0
  S  S14  1  0.250  0.491  0.115  1.0
  S  S15  1  0.750  0.509  0.885  1.0
  S  S16  1  0.250  0.028  0.884  1.0
  S  S17  1  0.750  0.972  0.116  1.0
  S  S18  1  0.750  0.472  0.384  1.0
  S  S19  1  0.250  0.528  0.616  1.0
  S  S20  1  0.250  0.225  0.248  1.0
  S  S21  1  0.750  0.775  0.752  1.0
  S  S22  1  0.750  0.275  0.748  1.0
  S  S23  1  0.250  0.725  0.252  1.0
  S  S24  1  0.750  0.262  0.016  1.0
  S  S25  1  0.250  0.738  0.984  1.0
  S  S26  1  0.250  0.238  0.516  1.0
  S  S27  1  0.750  0.762  0.484  1.0
[/CIF]
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