The structure described by Mn2SnS4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Mn(2)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 Mn(1), one Mn(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Mn2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.255
_cell_length_b   7.255
_cell_length_c   7.255
_cell_angle_alpha   120.792
_cell_angle_beta   119.692
_cell_angle_gamma   89.584
_symmetry_Int_Tables_number   1
_cell_volume   268.976
_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  0.379  0.629  0.750  1.0
  Mn  Mn1  1  0.621  0.371  0.250  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.758  0.282  0.023  1.0
  S  S7  1  0.758  0.735  0.477  1.0
  S  S8  1  0.750  0.740  0.009  1.0
  S  S9  1  0.231  0.740  0.491  1.0
  S  S10  1  0.242  0.718  0.977  1.0
  S  S11  1  0.242  0.265  0.523  1.0
  S  S12  1  0.250  0.260  0.991  1.0
  S  S13  1  0.769  0.260  0.509  1.0
[/CIF]
.
The structure described by Mn2SnS4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Mn(2)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 Mn(1), one Mn(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Mn2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.255
_cell_length_b   7.255
_cell_length_c   7.255
_cell_angle_alpha   120.792
_cell_angle_beta   119.692
_cell_angle_gamma   89.584
_symmetry_Int_Tables_number   1
_cell_volume   268.976
_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  0.379  0.629  0.750  1.0
  Mn  Mn1  1  0.621  0.371  0.250  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.758  0.282  0.023  1.0
  S  S7  1  0.758  0.735  0.477  1.0
  S  S8  1  0.750  0.740  0.009  1.0
  S  S9  1  0.231  0.740  0.491  1.0
  S  S10  1  0.242  0.718  0.977  1.0
  S  S11  1  0.242  0.265  0.523  1.0
  S  S12  1  0.250  0.260  0.991  1.0
  S  S13  1  0.769  0.260  0.509  1.0
[/CIF]
.