The material described by MgDyWS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. Dy(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent W(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyMgWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.657
_cell_length_b   7.609
_cell_length_c   7.606
_cell_angle_alpha   59.758
_cell_angle_beta   59.776
_cell_angle_gamma   59.791
_symmetry_Int_Tables_number   1
_cell_volume   311.756
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Dy  Dy1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.876  0.874  0.874  1.0
  Mg  Mg3  1  0.124  0.126  0.126  1.0
  W  W4  1  0.500  0.500  1.000  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.716  0.754  0.754  1.0
  S  S7  1  0.267  0.232  0.733  1.0
  S  S8  1  0.267  0.733  0.232  1.0
  S  S9  1  0.724  0.246  0.246  1.0
  S  S10  1  0.733  0.267  0.768  1.0
  S  S11  1  0.276  0.754  0.754  1.0
  S  S12  1  0.285  0.246  0.246  1.0
  S  S13  1  0.733  0.768  0.267  1.0
[/CIF]
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The material described by MgDyWS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra and corners with six equivalent W(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. Dy(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent W(1)S6 octahedra. W(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent W(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyMgWS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.657
_cell_length_b   7.609
_cell_length_c   7.606
_cell_angle_alpha   59.758
_cell_angle_beta   59.776
_cell_angle_gamma   59.791
_symmetry_Int_Tables_number   1
_cell_volume   311.756
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Dy  Dy1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.876  0.874  0.874  1.0
  Mg  Mg3  1  0.124  0.126  0.126  1.0
  W  W4  1  0.500  0.500  1.000  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.716  0.754  0.754  1.0
  S  S7  1  0.267  0.232  0.733  1.0
  S  S8  1  0.267  0.733  0.232  1.0
  S  S9  1  0.724  0.246  0.246  1.0
  S  S10  1  0.733  0.267  0.768  1.0
  S  S11  1  0.276  0.754  0.754  1.0
  S  S12  1  0.285  0.246  0.246  1.0
  S  S13  1  0.733  0.768  0.267  1.0
[/CIF]
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