The structure described by Mn4ZnS8 crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra and edges with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Zn(1) is bonded to six equivalent S(1) atoms to form ZnS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra and edges with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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), two equivalent Mn(2), and one Zn(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.022
_cell_length_c   7.022
_cell_angle_alpha   58.928
_cell_angle_beta   58.928
_cell_angle_gamma   58.928
_symmetry_Int_Tables_number   1
_cell_volume   238.797
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.252  0.726  0.252  1.0
  S  S6  1  0.726  0.252  0.252  1.0
  S  S7  1  0.252  0.252  0.726  1.0
  S  S8  1  0.260  0.260  0.260  1.0
  S  S9  1  0.740  0.740  0.740  1.0
  S  S10  1  0.274  0.748  0.748  1.0
  S  S11  1  0.748  0.748  0.274  1.0
  S  S12  1  0.748  0.274  0.748  1.0
[/CIF]
.
The structure described by Mn4ZnS8 crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra and edges with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Mn site, Mn(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Zn(1) is bonded to six equivalent S(1) atoms to form ZnS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra and edges with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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), two equivalent Mn(2), and one Zn(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.022
_cell_length_c   7.022
_cell_angle_alpha   58.928
_cell_angle_beta   58.928
_cell_angle_gamma   58.928
_symmetry_Int_Tables_number   1
_cell_volume   238.797
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.252  0.726  0.252  1.0
  S  S6  1  0.726  0.252  0.252  1.0
  S  S7  1  0.252  0.252  0.726  1.0
  S  S8  1  0.260  0.260  0.260  1.0
  S  S9  1  0.740  0.740  0.740  1.0
  S  S10  1  0.274  0.748  0.748  1.0
  S  S11  1  0.748  0.748  0.274  1.0
  S  S12  1  0.748  0.274  0.748  1.0
[/CIF]
.