The compound described by MgMn4ZnS8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(4), one S(6), and two equivalent S(5) atoms to form MgS4 tetrahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with three equivalent Mn(3)S6 octahedra, and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(3)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. In the second Mn site, Mn(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Mn(3)S6 octahedra. In the third Mn site, Mn(3) is bonded to one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Zn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with three equivalent Mn(3)S6 octahedra, and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mn(1), two equivalent Mn(2), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(3)Mn3Zn trigonal pyramid, corners with two equivalent S(4)MgMn3 trigonal pyramids, corners with two equivalent S(2)Mn3Zn trigonal pyramids, corners with three equivalent S(6)MgMn3 trigonal pyramids, corners with four equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(3)Mn3Zn trigonal pyramid, and edges with two equivalent S(2)Mn3Zn trigonal pyramids. In the second S site, S(2) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(1)Mn3Zn trigonal pyramid,  a cornercorner with one S(2)Mn3Zn trigonal pyramid,  a cornercorner with one S(3)Mn3Zn trigonal pyramid, corners with two equivalent S(4)MgMn3 trigonal pyramids, corners with two equivalent S(6)MgMn3 trigonal pyramids, corners with five equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(1)Mn3Zn trigonal pyramid,  an edgeedge with one S(2)Mn3Zn trigonal pyramid, and  an edgeedge with one S(3)Mn3Zn trigonal pyramid. In the third S site, S(3) is bonded to one Mn(3), two equivalent Mn(2), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(1)Mn3Zn trigonal pyramid, corners with two equivalent S(6)MgMn3 trigonal pyramids, corners with two equivalent S(2)Mn3Zn trigonal pyramids, corners with three equivalent S(4)MgMn3 trigonal pyramids, corners with four equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(1)Mn3Zn trigonal pyramid, and edges with two equivalent S(2)Mn3Zn trigonal pyramids. In the fourth S site, S(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(6)MgMn3 trigonal pyramid, corners with two equivalent S(5)MgMn3 trigonal pyramids, corners with two equivalent S(1)Mn3Zn trigonal pyramids, corners with three equivalent S(3)Mn3Zn trigonal pyramids, corners with four equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(6)MgMn3 trigonal pyramid, and edges with two equivalent S(5)MgMn3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(4)MgMn3 trigonal pyramid,  a cornercorner with one S(5)MgMn3 trigonal pyramid,  a cornercorner with one S(6)MgMn3 trigonal pyramid, corners with two equivalent S(1)Mn3Zn trigonal pyramids, corners with two equivalent S(3)Mn3Zn trigonal pyramids, corners with five equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(4)MgMn3 trigonal pyramid,  an edgeedge with one S(5)MgMn3 trigonal pyramid, and  an edgeedge with one S(6)MgMn3 trigonal pyramid. In the sixth S site, S(6) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(4)MgMn3 trigonal pyramid, corners with two equivalent S(5)MgMn3 trigonal pyramids, corners with two equivalent S(3)Mn3Zn trigonal pyramids, corners with three equivalent S(1)Mn3Zn trigonal pyramids, corners with four equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(4)MgMn3 trigonal pyramid, and edges with two equivalent S(5)MgMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.237
_cell_length_c   7.237
_cell_angle_alpha   59.766
_cell_angle_beta   60.151
_cell_angle_gamma   60.151
_symmetry_Int_Tables_number   1
_cell_volume   267.455
_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  0.908  0.864  0.864  1.0
  Mn  Mn1  1  0.026  0.491  0.491  1.0
  Mn  Mn2  1  0.530  0.490  0.991  1.0
  Mn  Mn3  1  0.529  0.490  0.490  1.0
  Mn  Mn4  1  0.530  0.991  0.490  1.0
  Zn  Zn5  1  0.155  0.115  0.115  1.0
  S  S6  1  0.286  0.250  0.250  1.0
  S  S7  1  0.287  0.250  0.712  1.0
  S  S8  1  0.287  0.712  0.250  1.0
  S  S9  1  0.752  0.249  0.249  1.0
  S  S10  1  0.317  0.728  0.728  1.0
  S  S11  1  0.766  0.730  0.274  1.0
  S  S12  1  0.766  0.274  0.730  1.0
  S  S13  1  0.768  0.728  0.728  1.0
[/CIF]
.
The compound described by MgMn4ZnS8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one S(4), one S(6), and two equivalent S(5) atoms to form MgS4 tetrahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with three equivalent Mn(3)S6 octahedra, and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(3)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. In the second Mn site, Mn(2) is bonded to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Mn(3)S6 octahedra. In the third Mn site, Mn(3) is bonded to one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Zn(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with three equivalent Mn(1)S6 octahedra, corners with three equivalent Mn(3)S6 octahedra, and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Mn(1), two equivalent Mn(2), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(3)Mn3Zn trigonal pyramid, corners with two equivalent S(4)MgMn3 trigonal pyramids, corners with two equivalent S(2)Mn3Zn trigonal pyramids, corners with three equivalent S(6)MgMn3 trigonal pyramids, corners with four equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(3)Mn3Zn trigonal pyramid, and edges with two equivalent S(2)Mn3Zn trigonal pyramids. In the second S site, S(2) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(1)Mn3Zn trigonal pyramid,  a cornercorner with one S(2)Mn3Zn trigonal pyramid,  a cornercorner with one S(3)Mn3Zn trigonal pyramid, corners with two equivalent S(4)MgMn3 trigonal pyramids, corners with two equivalent S(6)MgMn3 trigonal pyramids, corners with five equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(1)Mn3Zn trigonal pyramid,  an edgeedge with one S(2)Mn3Zn trigonal pyramid, and  an edgeedge with one S(3)Mn3Zn trigonal pyramid. In the third S site, S(3) is bonded to one Mn(3), two equivalent Mn(2), and one Zn(1) atom to form distorted SMn3Zn trigonal pyramids that share  a cornercorner with one S(1)Mn3Zn trigonal pyramid, corners with two equivalent S(6)MgMn3 trigonal pyramids, corners with two equivalent S(2)Mn3Zn trigonal pyramids, corners with three equivalent S(4)MgMn3 trigonal pyramids, corners with four equivalent S(5)MgMn3 trigonal pyramids,  an edgeedge with one S(1)Mn3Zn trigonal pyramid, and edges with two equivalent S(2)Mn3Zn trigonal pyramids. In the fourth S site, S(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(6)MgMn3 trigonal pyramid, corners with two equivalent S(5)MgMn3 trigonal pyramids, corners with two equivalent S(1)Mn3Zn trigonal pyramids, corners with three equivalent S(3)Mn3Zn trigonal pyramids, corners with four equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(6)MgMn3 trigonal pyramid, and edges with two equivalent S(5)MgMn3 trigonal pyramids. In the fifth S site, S(5) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(4)MgMn3 trigonal pyramid,  a cornercorner with one S(5)MgMn3 trigonal pyramid,  a cornercorner with one S(6)MgMn3 trigonal pyramid, corners with two equivalent S(1)Mn3Zn trigonal pyramids, corners with two equivalent S(3)Mn3Zn trigonal pyramids, corners with five equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(4)MgMn3 trigonal pyramid,  an edgeedge with one S(5)MgMn3 trigonal pyramid, and  an edgeedge with one S(6)MgMn3 trigonal pyramid. In the sixth S site, S(6) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted SMgMn3 trigonal pyramids that share  a cornercorner with one S(4)MgMn3 trigonal pyramid, corners with two equivalent S(5)MgMn3 trigonal pyramids, corners with two equivalent S(3)Mn3Zn trigonal pyramids, corners with three equivalent S(1)Mn3Zn trigonal pyramids, corners with four equivalent S(2)Mn3Zn trigonal pyramids,  an edgeedge with one S(4)MgMn3 trigonal pyramid, and edges with two equivalent S(5)MgMn3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.219
_cell_length_b   7.237
_cell_length_c   7.237
_cell_angle_alpha   59.766
_cell_angle_beta   60.151
_cell_angle_gamma   60.151
_symmetry_Int_Tables_number   1
_cell_volume   267.455
_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  0.908  0.864  0.864  1.0
  Mn  Mn1  1  0.026  0.491  0.491  1.0
  Mn  Mn2  1  0.530  0.490  0.991  1.0
  Mn  Mn3  1  0.529  0.490  0.490  1.0
  Mn  Mn4  1  0.530  0.991  0.490  1.0
  Zn  Zn5  1  0.155  0.115  0.115  1.0
  S  S6  1  0.286  0.250  0.250  1.0
  S  S7  1  0.287  0.250  0.712  1.0
  S  S8  1  0.287  0.712  0.250  1.0
  S  S9  1  0.752  0.249  0.249  1.0
  S  S10  1  0.317  0.728  0.728  1.0
  S  S11  1  0.766  0.730  0.274  1.0
  S  S12  1  0.766  0.274  0.730  1.0
  S  S13  1  0.768  0.728  0.728  1.0
[/CIF]
.