The crystal structure described by Mg2Sc3MnS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Sc(1)S6 octahedra, corners with three equivalent Mn(1)S6 octahedra, and corners with six equivalent Sc(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Sc(2)S6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, edges with two equivalent Sc(2)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, and edges with four equivalent Sc(2)S6 octahedra. There are three 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 Sc(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one Mn(1) atom. In the third S site, S(3) is bonded to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms to form distorted corner-sharing SMgSc3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sc3MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.528
_cell_length_b   7.478
_cell_length_c   7.533
_cell_angle_alpha   59.849
_cell_angle_beta   59.876
_cell_angle_gamma   59.907
_symmetry_Int_Tables_number   1
_cell_volume   299.046
_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
  Mg  Mg0  1  0.875  0.874  0.875  1.0
  Mg  Mg1  1  0.125  0.126  0.125  1.0
  Sc  Sc2  1  0.500  0.500  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  Sc  Sc4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.751  0.736  1.0
  S  S7  1  0.264  0.248  0.723  1.0
  S  S8  1  0.258  0.727  0.258  1.0
  S  S9  1  0.722  0.248  0.265  1.0
  S  S10  1  0.742  0.273  0.742  1.0
  S  S11  1  0.278  0.752  0.735  1.0
  S  S12  1  0.263  0.249  0.264  1.0
  S  S13  1  0.736  0.752  0.277  1.0
[/CIF]
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The crystal structure described by Mg2Sc3MnS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Sc(1)S6 octahedra, corners with three equivalent Mn(1)S6 octahedra, and corners with six equivalent Sc(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Sc(2)S6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ScS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, edges with two equivalent Sc(2)S6 octahedra, and edges with two equivalent Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Sc(1)S6 octahedra, and edges with four equivalent Sc(2)S6 octahedra. There are three 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 Sc(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one Mn(1) atom. In the third S site, S(3) is bonded to one Mg(1), one Sc(1), and two equivalent Sc(2) atoms to form distorted corner-sharing SMgSc3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sc3MnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.528
_cell_length_b   7.478
_cell_length_c   7.533
_cell_angle_alpha   59.849
_cell_angle_beta   59.876
_cell_angle_gamma   59.907
_symmetry_Int_Tables_number   1
_cell_volume   299.046
_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
  Mg  Mg0  1  0.875  0.874  0.875  1.0
  Mg  Mg1  1  0.125  0.126  0.125  1.0
  Sc  Sc2  1  0.500  0.500  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  Sc  Sc4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.751  0.736  1.0
  S  S7  1  0.264  0.248  0.723  1.0
  S  S8  1  0.258  0.727  0.258  1.0
  S  S9  1  0.722  0.248  0.265  1.0
  S  S10  1  0.742  0.273  0.742  1.0
  S  S11  1  0.278  0.752  0.735  1.0
  S  S12  1  0.263  0.249  0.264  1.0
  S  S13  1  0.736  0.752  0.277  1.0
[/CIF]
.