The crystal structure described by MnSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra and edges with six equivalent Sc(1)S6 octahedra. Mn(1) is bonded to four equivalent S(1) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Sc2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.504
_cell_length_b   7.504
_cell_length_c   7.504
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.838
_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
  Sc  Sc0  1  0.125  0.125  0.625  1.0
  Sc  Sc1  1  0.625  0.125  0.125  1.0
  Sc  Sc2  1  0.125  0.625  0.125  1.0
  Sc  Sc3  1  0.125  0.125  0.125  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.750  0.750  0.750  1.0
  S  S6  1  0.369  0.369  0.369  1.0
  S  S7  1  0.881  0.356  0.881  1.0
  S  S8  1  0.369  0.894  0.369  1.0
  S  S9  1  0.881  0.881  0.356  1.0
  S  S10  1  0.356  0.881  0.881  1.0
  S  S11  1  0.369  0.369  0.894  1.0
  S  S12  1  0.894  0.369  0.369  1.0
  S  S13  1  0.881  0.881  0.881  1.0
[/CIF]
.
The crystal structure described by MnSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Sc(1) is bonded to six equivalent S(1) atoms to form ScS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra and edges with six equivalent Sc(1)S6 octahedra. Mn(1) is bonded to four equivalent S(1) atoms to form MnS4 tetrahedra that share corners with twelve equivalent Sc(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_Sc2MnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.504
_cell_length_b   7.504
_cell_length_c   7.504
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.838
_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
  Sc  Sc0  1  0.125  0.125  0.625  1.0
  Sc  Sc1  1  0.625  0.125  0.125  1.0
  Sc  Sc2  1  0.125  0.625  0.125  1.0
  Sc  Sc3  1  0.125  0.125  0.125  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.750  0.750  0.750  1.0
  S  S6  1  0.369  0.369  0.369  1.0
  S  S7  1  0.881  0.356  0.881  1.0
  S  S8  1  0.369  0.894  0.369  1.0
  S  S9  1  0.881  0.881  0.356  1.0
  S  S10  1  0.356  0.881  0.881  1.0
  S  S11  1  0.369  0.369  0.894  1.0
  S  S12  1  0.894  0.369  0.369  1.0
  S  S13  1  0.881  0.881  0.881  1.0
[/CIF]
.