The compound described by Mg2Y3MoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Mo(1)S6 octahedra and corners with nine equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. Y(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Y(1)S6 octahedra. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Y(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Mg2MoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.714
_cell_length_c   7.838
_cell_angle_alpha   59.466
_cell_angle_beta   59.999
_cell_angle_gamma   59.465
_symmetry_Int_Tables_number   1
_cell_volume   332.398
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.876  0.875  1.0
  Mg  Mg4  1  0.125  0.124  0.125  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.734  0.764  0.734  1.0
  S  S7  1  0.266  0.236  0.732  1.0
  S  S8  1  0.255  0.735  0.255  1.0
  S  S9  1  0.732  0.236  0.266  1.0
  S  S10  1  0.745  0.265  0.745  1.0
  S  S11  1  0.268  0.764  0.734  1.0
  S  S12  1  0.266  0.236  0.266  1.0
  S  S13  1  0.734  0.764  0.268  1.0
[/CIF]
.
The compound described by Mg2Y3MoS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Mo(1)S6 octahedra and corners with nine equivalent Y(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. Y(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Y(1)S6 octahedra. Mo(1) is bonded to six equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Y(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Mg2MoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.838
_cell_length_b   7.714
_cell_length_c   7.838
_cell_angle_alpha   59.466
_cell_angle_beta   59.999
_cell_angle_gamma   59.465
_symmetry_Int_Tables_number   1
_cell_volume   332.398
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.875  0.876  0.875  1.0
  Mg  Mg4  1  0.125  0.124  0.125  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.734  0.764  0.734  1.0
  S  S7  1  0.266  0.236  0.732  1.0
  S  S8  1  0.255  0.735  0.255  1.0
  S  S9  1  0.732  0.236  0.266  1.0
  S  S10  1  0.745  0.265  0.745  1.0
  S  S11  1  0.268  0.764  0.734  1.0
  S  S12  1  0.266  0.236  0.266  1.0
  S  S13  1  0.734  0.764  0.268  1.0
[/CIF]
.