The structure described by Mn3Si2Te6 is Spinel-like structured and crystallizes in the trigonal P-31c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Te(1) atoms to form MnTe6 octahedra that share corners with three equivalent Mn(2)Te6 octahedra, corners with six equivalent Si(1)SiTe3 tetrahedra, edges with three equivalent Mn(1)Te6 octahedra, and  a faceface with one Mn(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mn site, Mn(2) is bonded to six equivalent Te(1) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, corners with six equivalent Si(1)SiTe3 tetrahedra, and faces with two equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 44°. Si(1) is bonded to one Si(1) and three equivalent Te(1) atoms to form SiSiTe3 tetrahedra that share corners with three equivalent Mn(2)Te6 octahedra and corners with six equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 58-77°. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(SiTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.107
_cell_length_b   7.107
_cell_length_c   14.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   622.998
_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
  Mn  Mn0  1  0.333  0.667  0.506  1.0
  Mn  Mn1  1  0.333  0.667  0.250  1.0
  Mn  Mn2  1  0.667  0.333  0.006  1.0
  Mn  Mn3  1  0.333  0.667  0.994  1.0
  Mn  Mn4  1  0.667  0.333  0.750  1.0
  Mn  Mn5  1  0.667  0.333  0.494  1.0
  Si  Si6  1  0.000  0.000  0.166  1.0
  Si  Si7  1  0.000  0.000  0.334  1.0
  Si  Si8  1  0.000  0.000  0.666  1.0
  Si  Si9  1  0.000  0.000  0.834  1.0
  Te  Te10  1  0.353  0.010  0.878  1.0
  Te  Te11  1  0.343  0.990  0.378  1.0
  Te  Te12  1  0.010  0.657  0.122  1.0
  Te  Te13  1  0.353  0.343  0.622  1.0
  Te  Te14  1  0.990  0.647  0.622  1.0
  Te  Te15  1  0.343  0.353  0.122  1.0
  Te  Te16  1  0.657  0.647  0.878  1.0
  Te  Te17  1  0.010  0.353  0.378  1.0
  Te  Te18  1  0.647  0.657  0.378  1.0
  Te  Te19  1  0.990  0.343  0.878  1.0
  Te  Te20  1  0.657  0.010  0.622  1.0
  Te  Te21  1  0.647  0.990  0.122  1.0
[/CIF]
.
The structure described by Mn3Si2Te6 is Spinel-like structured and crystallizes in the trigonal P-31c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Te(1) atoms to form MnTe6 octahedra that share corners with three equivalent Mn(2)Te6 octahedra, corners with six equivalent Si(1)SiTe3 tetrahedra, edges with three equivalent Mn(1)Te6 octahedra, and  a faceface with one Mn(2)Te6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Mn site, Mn(2) is bonded to six equivalent Te(1) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, corners with six equivalent Si(1)SiTe3 tetrahedra, and faces with two equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 44°. Si(1) is bonded to one Si(1) and three equivalent Te(1) atoms to form SiSiTe3 tetrahedra that share corners with three equivalent Mn(2)Te6 octahedra and corners with six equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 58-77°. Te(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3(SiTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.107
_cell_length_b   7.107
_cell_length_c   14.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   622.998
_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
  Mn  Mn0  1  0.333  0.667  0.506  1.0
  Mn  Mn1  1  0.333  0.667  0.250  1.0
  Mn  Mn2  1  0.667  0.333  0.006  1.0
  Mn  Mn3  1  0.333  0.667  0.994  1.0
  Mn  Mn4  1  0.667  0.333  0.750  1.0
  Mn  Mn5  1  0.667  0.333  0.494  1.0
  Si  Si6  1  0.000  0.000  0.166  1.0
  Si  Si7  1  0.000  0.000  0.334  1.0
  Si  Si8  1  0.000  0.000  0.666  1.0
  Si  Si9  1  0.000  0.000  0.834  1.0
  Te  Te10  1  0.353  0.010  0.878  1.0
  Te  Te11  1  0.343  0.990  0.378  1.0
  Te  Te12  1  0.010  0.657  0.122  1.0
  Te  Te13  1  0.353  0.343  0.622  1.0
  Te  Te14  1  0.990  0.647  0.622  1.0
  Te  Te15  1  0.343  0.353  0.122  1.0
  Te  Te16  1  0.657  0.647  0.878  1.0
  Te  Te17  1  0.010  0.353  0.378  1.0
  Te  Te18  1  0.647  0.657  0.378  1.0
  Te  Te19  1  0.990  0.343  0.878  1.0
  Te  Te20  1  0.657  0.010  0.622  1.0
  Te  Te21  1  0.647  0.990  0.122  1.0
[/CIF]
.