The structure described by Mg2SmW3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent Sm(1)S6 octahedra, corners with three equivalent W(1)S6 octahedra, and corners with six equivalent W(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-69°. Sm(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent W(2)S6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, and edges with four equivalent W(2)S6 octahedra. In the second W site, W(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, edges with two equivalent W(1)S6 octahedra, and edges with two equivalent W(2)S6 octahedra. There are three 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 W(1), and two equivalent W(2) atoms. In the second S site, S(2) is bonded to one Mg(1), one Sm(1), and two equivalent W(2) atoms to form distorted corner-sharing SSmMgW2 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_SmMg2W3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.466
_cell_angle_alpha   57.407
_cell_angle_beta   57.406
_cell_angle_gamma   59.344
_symmetry_Int_Tables_number   1
_cell_volume   294.188
_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
  Sm  Sm0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.876  0.876  0.868  1.0
  Mg  Mg2  1  0.124  0.124  0.132  1.0
  W  W3  1  0.500  0.500  1.000  1.0
  W  W4  1  1.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.743  0.743  0.735  1.0
  S  S7  1  0.240  0.240  0.725  1.0
  S  S8  1  0.245  0.730  0.240  1.0
  S  S9  1  0.730  0.245  0.240  1.0
  S  S10  1  0.755  0.270  0.760  1.0
  S  S11  1  0.270  0.755  0.760  1.0
  S  S12  1  0.257  0.257  0.265  1.0
  S  S13  1  0.760  0.760  0.275  1.0
[/CIF]
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The structure described by Mg2SmW3S8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent Sm(1)S6 octahedra, corners with three equivalent W(1)S6 octahedra, and corners with six equivalent W(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-69°. Sm(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form SmS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent W(1)S6 octahedra, and edges with four equivalent W(2)S6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, and edges with four equivalent W(2)S6 octahedra. In the second W site, W(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form WS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sm(1)S6 octahedra, edges with two equivalent W(1)S6 octahedra, and edges with two equivalent W(2)S6 octahedra. There are three 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 W(1), and two equivalent W(2) atoms. In the second S site, S(2) is bonded to one Mg(1), one Sm(1), and two equivalent W(2) atoms to form distorted corner-sharing SSmMgW2 trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(1), one W(1), and one W(2) atom. is represented by the CIF file [CIF]
data_SmMg2W3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.466
_cell_angle_alpha   57.407
_cell_angle_beta   57.406
_cell_angle_gamma   59.344
_symmetry_Int_Tables_number   1
_cell_volume   294.188
_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
  Sm  Sm0  1  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.876  0.876  0.868  1.0
  Mg  Mg2  1  0.124  0.124  0.132  1.0
  W  W3  1  0.500  0.500  1.000  1.0
  W  W4  1  1.000  0.500  0.500  1.0
  W  W5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.743  0.743  0.735  1.0
  S  S7  1  0.240  0.240  0.725  1.0
  S  S8  1  0.245  0.730  0.240  1.0
  S  S9  1  0.730  0.245  0.240  1.0
  S  S10  1  0.755  0.270  0.760  1.0
  S  S11  1  0.270  0.755  0.760  1.0
  S  S12  1  0.257  0.257  0.265  1.0
  S  S13  1  0.760  0.760  0.275  1.0
[/CIF]
.