The material described by FeCu6(SnS4)2 crystallizes in the tetragonal P-4m2 space group. Fe(1) is bonded to two equivalent Sn(2) and four equivalent S(2) atoms to form distorted FeSn2S4 tetrahedra that share corners with two equivalent Fe(1)Sn2S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, and edges with eight equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Sn(2), two equivalent S(1), and two equivalent S(2) atoms to form distorted CuSnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra, corners with three equivalent Cu(1)SnS4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra,  an edgeedge with one Sn(2)Fe2Cu4S4 tetrahedra, edges with two equivalent Fe(1)Sn2S4 tetrahedra, and edges with two equivalent Cu(1)SnS4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)Sn2S4 tetrahedra, corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and corners with eight equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)SnS4 tetrahedra. In the second Sn site, Sn(2) is bonded to two equivalent Fe(1), four equivalent Cu(1), and four equivalent S(2) atoms to form distorted SnFe2Cu4S4 tetrahedra that share corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with eight equivalent S(1)Cu3Sn tetrahedra, edges with two equivalent Fe(1)Sn2S4 tetrahedra, and edges with four equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra and corners with six equivalent S(1)Cu3Sn tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Fe(1), one Cu(2), two equivalent Cu(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_FeCu6(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   7.773
_cell_length_c   5.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.438
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.759  0.241  0.500  1.0
  Cu  Cu2  1  0.241  0.241  0.500  1.0
  Cu  Cu3  1  0.241  0.759  0.500  1.0
  Cu  Cu4  1  0.759  0.759  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.973  1.0
  Cu  Cu6  1  0.500  0.000  0.027  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.000  0.260  0.738  1.0
  S  S10  1  0.260  0.000  0.262  1.0
  S  S11  1  0.000  0.740  0.738  1.0
  S  S12  1  0.740  0.000  0.262  1.0
  S  S13  1  0.500  0.235  0.771  1.0
  S  S14  1  0.235  0.500  0.229  1.0
  S  S15  1  0.500  0.765  0.771  1.0
  S  S16  1  0.765  0.500  0.229  1.0
[/CIF]
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The material described by FeCu6(SnS4)2 crystallizes in the tetragonal P-4m2 space group. Fe(1) is bonded to two equivalent Sn(2) and four equivalent S(2) atoms to form distorted FeSn2S4 tetrahedra that share corners with two equivalent Fe(1)Sn2S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, and edges with eight equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Sn(2), two equivalent S(1), and two equivalent S(2) atoms to form distorted CuSnS4 tetrahedra that share corners with two equivalent Sn(1)S4 tetrahedra, corners with three equivalent Cu(1)SnS4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra,  an edgeedge with one Sn(2)Fe2Cu4S4 tetrahedra, edges with two equivalent Fe(1)Sn2S4 tetrahedra, and edges with two equivalent Cu(1)SnS4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)Sn2S4 tetrahedra, corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and corners with eight equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)SnS4 tetrahedra. In the second Sn site, Sn(2) is bonded to two equivalent Fe(1), four equivalent Cu(1), and four equivalent S(2) atoms to form distorted SnFe2Cu4S4 tetrahedra that share corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with eight equivalent S(1)Cu3Sn tetrahedra, edges with two equivalent Fe(1)Sn2S4 tetrahedra, and edges with four equivalent Cu(1)SnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with two equivalent Sn(2)Fe2Cu4S4 tetrahedra and corners with six equivalent S(1)Cu3Sn tetrahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Fe(1), one Cu(2), two equivalent Cu(1), and one Sn(2) atom. is represented by the CIF file [CIF]
data_FeCu6(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   7.773
_cell_length_c   5.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.438
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.759  0.241  0.500  1.0
  Cu  Cu2  1  0.241  0.241  0.500  1.0
  Cu  Cu3  1  0.241  0.759  0.500  1.0
  Cu  Cu4  1  0.759  0.759  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.973  1.0
  Cu  Cu6  1  0.500  0.000  0.027  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  Sn  Sn8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.000  0.260  0.738  1.0
  S  S10  1  0.260  0.000  0.262  1.0
  S  S11  1  0.000  0.740  0.738  1.0
  S  S12  1  0.740  0.000  0.262  1.0
  S  S13  1  0.500  0.235  0.771  1.0
  S  S14  1  0.235  0.500  0.229  1.0
  S  S15  1  0.500  0.765  0.771  1.0
  S  S16  1  0.765  0.500  0.229  1.0
[/CIF]
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