The structure described by Mg2DyMo3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Dy(1)S6 octahedra and corners with nine equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Dy(1) is bonded to six equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mo(1)S6 octahedra. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Mo(1) atoms to form distorted corner-sharing SMgMo3 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_DyMg2Mo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.484
_cell_length_b   7.484
_cell_length_c   7.484
_cell_angle_alpha   60.900
_cell_angle_beta   60.902
_cell_angle_gamma   60.899
_symmetry_Int_Tables_number   1
_cell_volume   302.396
_cell_formula_units_Z   1
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
  Mg  Mg1  1  0.876  0.876  0.876  1.0
  Mg  Mg2  1  0.124  0.124  0.124  1.0
  Mo  Mo3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.247  0.247  0.725  1.0
  S  S8  1  0.247  0.725  0.247  1.0
  S  S9  1  0.725  0.247  0.247  1.0
  S  S10  1  0.753  0.275  0.753  1.0
  S  S11  1  0.275  0.753  0.753  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.753  0.753  0.275  1.0
[/CIF]
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The structure described by Mg2DyMo3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Dy(1)S6 octahedra and corners with nine equivalent Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Dy(1) is bonded to six equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mo(1)S6 octahedra. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Mo(1) atoms to form distorted corner-sharing SMgMo3 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_DyMg2Mo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.484
_cell_length_b   7.484
_cell_length_c   7.484
_cell_angle_alpha   60.900
_cell_angle_beta   60.902
_cell_angle_gamma   60.899
_symmetry_Int_Tables_number   1
_cell_volume   302.396
_cell_formula_units_Z   1
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
  Mg  Mg1  1  0.876  0.876  0.876  1.0
  Mg  Mg2  1  0.124  0.124  0.124  1.0
  Mo  Mo3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.247  0.247  0.725  1.0
  S  S8  1  0.247  0.725  0.247  1.0
  S  S9  1  0.725  0.247  0.247  1.0
  S  S10  1  0.753  0.275  0.753  1.0
  S  S11  1  0.275  0.753  0.753  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.753  0.753  0.275  1.0
[/CIF]
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