The material structure described by MgFe2Cu6SnS8 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one S(1), one S(5), one S(7), and one S(8) atom to form distorted MgS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Fe(2)S4 tetrahedra, and  an edgeedge with one Sn(1)S4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(4), one S(5), one S(6), and one S(8) atom to form FeS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra,  an edgeedge with one Cu(3)S4 tetrahedra,  an edgeedge with one Cu(4)S4 tetrahedra,  an edgeedge with one Cu(5)S4 tetrahedra, and edges with two equivalent Fe(2)S4 tetrahedra. In the second Fe site, Fe(2) is bonded to one S(4), one S(5), one S(6), and one S(8) atom to form distorted FeS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Mg(1)S4 tetrahedra, and edges with two equivalent Fe(1)S4 tetrahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(5), one S(7), and one S(8) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(5), and one S(6) atom. In the third Cu site, Cu(3) is bonded to one S(2), one S(4), one S(5), and one S(7) atom to form distorted CuS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form CuS4 tetrahedra that share corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one S(1), one S(3), one S(6), and one S(8) atom to form distorted CuS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(3), one S(4), one S(7), and one S(8) atom. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form distorted SnS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Cu(1), one Cu(2), one Cu(5), and one Sn(1) atom to form distorted SMgCu3Sn trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(7)MgCu3Sn trigonal bipyramid, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, and  an edgeedge with one S(7)MgCu3Sn trigonal bipyramid. In the second S site, S(2) is bonded to one Cu(2), one Cu(3), one Cu(4), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(3)Cu3Sn tetrahedra, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and corners with two equivalent S(7)MgCu3Sn trigonal bipyramids. In the third S site, S(3) is bonded to one Cu(4), one Cu(5), one Cu(6), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and corners with two equivalent S(7)MgCu3Sn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Fe(1), one Fe(2), one Cu(3), one Cu(4), and one Cu(6) atom to form distorted SFe2Cu3 trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(6)Fe2Cu3 trigonal bipyramid, corners with two equivalent S(7)MgCu3Sn trigonal bipyramids, and  an edgeedge with one S(6)Fe2Cu3 trigonal bipyramid. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom. In the sixth S site, S(6) is bonded to one Fe(1), one Fe(2), one Cu(2), one Cu(4), and one Cu(5) atom to form distorted SFe2Cu3 trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(4)Fe2Cu3 trigonal bipyramid, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and  an edgeedge with one S(4)Fe2Cu3 trigonal bipyramid. In the seventh S site, S(7) is bonded to one Mg(1), one Cu(1), one Cu(3), one Cu(6), and one Sn(1) atom to form distorted SMgCu3Sn trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(1)MgCu3Sn trigonal bipyramid, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, and  an edgeedge with one S(1)MgCu3Sn trigonal bipyramid. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Cu(1), one Cu(5), and one Cu(6) atom. is represented by the CIF card [CIF]
data_MgFe2Cu6SnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.792
_cell_length_c   7.790
_cell_angle_alpha   87.983
_cell_angle_beta   90.293
_cell_angle_gamma   89.725
_symmetry_Int_Tables_number   1
_cell_volume   331.678
_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  1.000  0.738  0.737  1.0
  Fe  Fe1  1  0.500  0.491  0.491  1.0
  Fe  Fe2  1  1.000  0.484  0.484  1.0
  Cu  Cu3  1  0.500  0.738  0.738  1.0
  Cu  Cu4  1  0.954  0.051  0.504  1.0
  Cu  Cu5  1  0.522  0.748  0.244  1.0
  Cu  Cu6  1  0.500  0.251  0.251  1.0
  Cu  Cu7  1  0.478  0.244  0.749  1.0
  Cu  Cu8  1  0.045  0.504  0.050  1.0
  Sn  Sn9  1  0.000  0.022  0.022  1.0
  S  S10  1  0.738  0.997  0.749  1.0
  S  S11  1  0.727  0.000  0.270  1.0
  S  S12  1  0.273  0.270  0.000  1.0
  S  S13  1  0.743  0.497  0.246  1.0
  S  S14  1  0.253  0.737  0.484  1.0
  S  S15  1  0.257  0.246  0.497  1.0
  S  S16  1  0.262  0.749  0.997  1.0
  S  S17  1  0.748  0.484  0.737  1.0
[/CIF]
.
The material structure described by MgFe2Cu6SnS8 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one S(1), one S(5), one S(7), and one S(8) atom to form distorted MgS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Fe(2)S4 tetrahedra, and  an edgeedge with one Sn(1)S4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(4), one S(5), one S(6), and one S(8) atom to form FeS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra,  an edgeedge with one Cu(3)S4 tetrahedra,  an edgeedge with one Cu(4)S4 tetrahedra,  an edgeedge with one Cu(5)S4 tetrahedra, and edges with two equivalent Fe(2)S4 tetrahedra. In the second Fe site, Fe(2) is bonded to one S(4), one S(5), one S(6), and one S(8) atom to form distorted FeS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra,  an edgeedge with one Mg(1)S4 tetrahedra, and edges with two equivalent Fe(1)S4 tetrahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(5), one S(7), and one S(8) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(5), and one S(6) atom. In the third Cu site, Cu(3) is bonded to one S(2), one S(4), one S(5), and one S(7) atom to form distorted CuS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form CuS4 tetrahedra that share corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one S(1), one S(3), one S(6), and one S(8) atom to form distorted CuS4 tetrahedra that share corners with two equivalent Mg(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(3), one S(4), one S(7), and one S(8) atom. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form distorted SnS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(5)S4 tetrahedra, and  an edgeedge with one Mg(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Cu(1), one Cu(2), one Cu(5), and one Sn(1) atom to form distorted SMgCu3Sn trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(7)MgCu3Sn trigonal bipyramid, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, and  an edgeedge with one S(7)MgCu3Sn trigonal bipyramid. In the second S site, S(2) is bonded to one Cu(2), one Cu(3), one Cu(4), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(3)Cu3Sn tetrahedra, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and corners with two equivalent S(7)MgCu3Sn trigonal bipyramids. In the third S site, S(3) is bonded to one Cu(4), one Cu(5), one Cu(6), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(6)Fe2Cu3 trigonal bipyramids, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and corners with two equivalent S(7)MgCu3Sn trigonal bipyramids. In the fourth S site, S(4) is bonded to one Fe(1), one Fe(2), one Cu(3), one Cu(4), and one Cu(6) atom to form distorted SFe2Cu3 trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(6)Fe2Cu3 trigonal bipyramid, corners with two equivalent S(7)MgCu3Sn trigonal bipyramids, and  an edgeedge with one S(6)Fe2Cu3 trigonal bipyramid. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Cu(1), one Cu(2), and one Cu(3) atom. In the sixth S site, S(6) is bonded to one Fe(1), one Fe(2), one Cu(2), one Cu(4), and one Cu(5) atom to form distorted SFe2Cu3 trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(4)Fe2Cu3 trigonal bipyramid, corners with two equivalent S(1)MgCu3Sn trigonal bipyramids, and  an edgeedge with one S(4)Fe2Cu3 trigonal bipyramid. In the seventh S site, S(7) is bonded to one Mg(1), one Cu(1), one Cu(3), one Cu(6), and one Sn(1) atom to form distorted SMgCu3Sn trigonal bipyramids that share corners with two equivalent S(2)Cu3Sn tetrahedra, corners with two equivalent S(3)Cu3Sn tetrahedra,  a cornercorner with one S(1)MgCu3Sn trigonal bipyramid, corners with two equivalent S(4)Fe2Cu3 trigonal bipyramids, and  an edgeedge with one S(1)MgCu3Sn trigonal bipyramid. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), one Cu(1), one Cu(5), and one Cu(6) atom. is represented by the CIF card [CIF]
data_MgFe2Cu6SnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.792
_cell_length_c   7.790
_cell_angle_alpha   87.983
_cell_angle_beta   90.293
_cell_angle_gamma   89.725
_symmetry_Int_Tables_number   1
_cell_volume   331.678
_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  1.000  0.738  0.737  1.0
  Fe  Fe1  1  0.500  0.491  0.491  1.0
  Fe  Fe2  1  1.000  0.484  0.484  1.0
  Cu  Cu3  1  0.500  0.738  0.738  1.0
  Cu  Cu4  1  0.954  0.051  0.504  1.0
  Cu  Cu5  1  0.522  0.748  0.244  1.0
  Cu  Cu6  1  0.500  0.251  0.251  1.0
  Cu  Cu7  1  0.478  0.244  0.749  1.0
  Cu  Cu8  1  0.045  0.504  0.050  1.0
  Sn  Sn9  1  0.000  0.022  0.022  1.0
  S  S10  1  0.738  0.997  0.749  1.0
  S  S11  1  0.727  0.000  0.270  1.0
  S  S12  1  0.273  0.270  0.000  1.0
  S  S13  1  0.743  0.497  0.246  1.0
  S  S14  1  0.253  0.737  0.484  1.0
  S  S15  1  0.257  0.246  0.497  1.0
  S  S16  1  0.262  0.749  0.997  1.0
  S  S17  1  0.748  0.484  0.737  1.0
[/CIF]
.