The material described by Fe2Cu3(Sn3Se8)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Se(4), one Se(9), two equivalent Se(11), and two equivalent Se(6) atoms to form FeSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Sn(2)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the second Fe site, Fe(2) is bonded to one Se(10), one Se(3), two equivalent Se(12), and two equivalent Se(5) atoms to form FeSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, edges with two equivalent Sn(1)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(10), one Se(8), and two equivalent Se(11) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(2)Se6 octahedra,  a cornercorner with one Sn(1)Se6 octahedra, corners with two equivalent Fe(1)Se6 octahedra, corners with two equivalent Sn(2)Se6 octahedra, corners with two equivalent Sn(3)Se6 octahedra, and corners with four equivalent Sn(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Cu site, Cu(2) is bonded to one Se(7), one Se(9), and two equivalent Se(12) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(1)Se6 octahedra,  a cornercorner with one Sn(2)Se6 octahedra, corners with two equivalent Fe(2)Se6 octahedra, corners with two equivalent Sn(1)Se6 octahedra, corners with two equivalent Sn(4)Se6 octahedra, and corners with four equivalent Sn(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the third Cu site, Cu(3) is bonded to one Se(2), one Se(4), and two equivalent Se(5) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(1)Se6 octahedra,  a cornercorner with one Sn(2)Se6 octahedra, corners with two equivalent Fe(2)Se6 octahedra, corners with two equivalent Sn(1)Se6 octahedra, corners with two equivalent Sn(3)Se6 octahedra, and corners with four equivalent Sn(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Se(1), one Se(8), two equivalent Se(12), and two equivalent Se(5) atoms to form SnSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, edges with two equivalent Fe(2)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the second Sn site, Sn(2) is bonded to one Se(2), one Se(7), two equivalent Se(11), and two equivalent Se(6) atoms to form SnSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Fe(1)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the third Sn site, Sn(3) is bonded to one Se(1), one Se(11), one Se(3), one Se(5), one Se(7), and one Se(9) atom to form SnSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra,  an edgeedge with one Fe(1)Se6 octahedra,  an edgeedge with one Fe(2)Se6 octahedra,  an edgeedge with one Sn(1)Se6 octahedra,  an edgeedge with one Sn(2)Se6 octahedra, and edges with two equivalent Sn(3)Se6 octahedra. In the fourth Sn site, Sn(4) is bonded to one Se(10), one Se(12), one Se(2), one Se(4), one Se(6), and one Se(8) atom to form SnSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra,  an edgeedge with one Fe(1)Se6 octahedra,  an edgeedge with one Fe(2)Se6 octahedra,  an edgeedge with one Sn(1)Se6 octahedra,  an edgeedge with one Sn(2)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Sn(1) and two equivalent Sn(3) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Sn(2), and two equivalent Sn(4) atoms. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Sn(3) atoms. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(3), and two equivalent Sn(4) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(3), one Sn(1), and one Sn(3) atom. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Sn(2), and one Sn(4) atom. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Sn(2), and two equivalent Sn(3) atoms. In the eighth Se site, Se(8) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Sn(1), and two equivalent Sn(4) atoms. In the ninth Se site, Se(9) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(2), and two equivalent Sn(3) atoms. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(1), and two equivalent Sn(4) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Sn(2), and one Sn(3) atom. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(2), one Sn(1), and one Sn(4) atom. is represented by the CIF card [CIF]
data_Fe2Cu3(Sn3Se8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.724
_cell_length_b   7.677
_cell_length_c   10.882
_cell_angle_alpha   89.397
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.192
_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  0.254  0.247  1.0
  Fe  Fe1  1  0.000  0.753  0.750  1.0
  Cu  Cu2  1  0.000  0.992  0.131  1.0
  Cu  Cu3  1  0.500  0.490  0.627  1.0
  Cu  Cu4  1  0.500  0.010  0.870  1.0
  Sn  Sn5  1  0.000  0.251  0.744  1.0
  Sn  Sn6  1  0.500  0.743  0.252  1.0
  Sn  Sn7  1  0.759  0.003  0.500  1.0
  Sn  Sn8  1  0.249  0.500  0.003  1.0
  Sn  Sn9  1  0.241  0.003  0.500  1.0
  Sn  Sn10  1  0.751  0.500  0.003  1.0
  Se  Se11  1  0.000  0.263  0.494  1.0
  Se  Se12  1  0.500  0.754  0.999  1.0
  Se  Se13  1  0.000  0.750  0.529  1.0
  Se  Se14  1  0.500  0.248  0.020  1.0
  Se  Se15  1  0.228  0.978  0.751  1.0
  Se  Se16  1  0.725  0.471  0.251  1.0
  Se  Se17  1  0.772  0.978  0.751  1.0
  Se  Se18  1  0.275  0.471  0.251  1.0
  Se  Se19  1  0.500  0.751  0.502  1.0
  Se  Se20  1  0.000  0.246  0.999  1.0
  Se  Se21  1  0.500  0.250  0.477  1.0
  Se  Se22  1  0.000  0.751  0.978  1.0
  Se  Se23  1  0.271  0.020  0.249  1.0
  Se  Se24  1  0.773  0.525  0.750  1.0
  Se  Se25  1  0.729  0.020  0.249  1.0
  Se  Se26  1  0.227  0.525  0.750  1.0
[/CIF]
.
The material described by Fe2Cu3(Sn3Se8)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic Pm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Se(4), one Se(9), two equivalent Se(11), and two equivalent Se(6) atoms to form FeSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Sn(2)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the second Fe site, Fe(2) is bonded to one Se(10), one Se(3), two equivalent Se(12), and two equivalent Se(5) atoms to form FeSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, edges with two equivalent Sn(1)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(10), one Se(8), and two equivalent Se(11) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(2)Se6 octahedra,  a cornercorner with one Sn(1)Se6 octahedra, corners with two equivalent Fe(1)Se6 octahedra, corners with two equivalent Sn(2)Se6 octahedra, corners with two equivalent Sn(3)Se6 octahedra, and corners with four equivalent Sn(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Cu site, Cu(2) is bonded to one Se(7), one Se(9), and two equivalent Se(12) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(1)Se6 octahedra,  a cornercorner with one Sn(2)Se6 octahedra, corners with two equivalent Fe(2)Se6 octahedra, corners with two equivalent Sn(1)Se6 octahedra, corners with two equivalent Sn(4)Se6 octahedra, and corners with four equivalent Sn(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the third Cu site, Cu(3) is bonded to one Se(2), one Se(4), and two equivalent Se(5) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Fe(1)Se6 octahedra,  a cornercorner with one Sn(2)Se6 octahedra, corners with two equivalent Fe(2)Se6 octahedra, corners with two equivalent Sn(1)Se6 octahedra, corners with two equivalent Sn(3)Se6 octahedra, and corners with four equivalent Sn(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Se(1), one Se(8), two equivalent Se(12), and two equivalent Se(5) atoms to form SnSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, edges with two equivalent Fe(2)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the second Sn site, Sn(2) is bonded to one Se(2), one Se(7), two equivalent Se(11), and two equivalent Se(6) atoms to form SnSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Fe(1)Se6 octahedra, edges with two equivalent Sn(3)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. In the third Sn site, Sn(3) is bonded to one Se(1), one Se(11), one Se(3), one Se(5), one Se(7), and one Se(9) atom to form SnSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra,  an edgeedge with one Fe(1)Se6 octahedra,  an edgeedge with one Fe(2)Se6 octahedra,  an edgeedge with one Sn(1)Se6 octahedra,  an edgeedge with one Sn(2)Se6 octahedra, and edges with two equivalent Sn(3)Se6 octahedra. In the fourth Sn site, Sn(4) is bonded to one Se(10), one Se(12), one Se(2), one Se(4), one Se(6), and one Se(8) atom to form SnSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra,  an edgeedge with one Fe(1)Se6 octahedra,  an edgeedge with one Fe(2)Se6 octahedra,  an edgeedge with one Sn(1)Se6 octahedra,  an edgeedge with one Sn(2)Se6 octahedra, and edges with two equivalent Sn(4)Se6 octahedra. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Sn(1) and two equivalent Sn(3) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Sn(2), and two equivalent Sn(4) atoms. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Sn(3) atoms. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(3), and two equivalent Sn(4) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(3), one Sn(1), and one Sn(3) atom. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Sn(2), and one Sn(4) atom. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Sn(2), and two equivalent Sn(3) atoms. In the eighth Se site, Se(8) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Sn(1), and two equivalent Sn(4) atoms. In the ninth Se site, Se(9) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(2), and two equivalent Sn(3) atoms. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(1), and two equivalent Sn(4) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Sn(2), and one Sn(3) atom. In the twelfth Se site, Se(12) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Cu(2), one Sn(1), and one Sn(4) atom. is represented by the CIF card [CIF]
data_Fe2Cu3(Sn3Se8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.724
_cell_length_b   7.677
_cell_length_c   10.882
_cell_angle_alpha   89.397
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.192
_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  0.254  0.247  1.0
  Fe  Fe1  1  0.000  0.753  0.750  1.0
  Cu  Cu2  1  0.000  0.992  0.131  1.0
  Cu  Cu3  1  0.500  0.490  0.627  1.0
  Cu  Cu4  1  0.500  0.010  0.870  1.0
  Sn  Sn5  1  0.000  0.251  0.744  1.0
  Sn  Sn6  1  0.500  0.743  0.252  1.0
  Sn  Sn7  1  0.759  0.003  0.500  1.0
  Sn  Sn8  1  0.249  0.500  0.003  1.0
  Sn  Sn9  1  0.241  0.003  0.500  1.0
  Sn  Sn10  1  0.751  0.500  0.003  1.0
  Se  Se11  1  0.000  0.263  0.494  1.0
  Se  Se12  1  0.500  0.754  0.999  1.0
  Se  Se13  1  0.000  0.750  0.529  1.0
  Se  Se14  1  0.500  0.248  0.020  1.0
  Se  Se15  1  0.228  0.978  0.751  1.0
  Se  Se16  1  0.725  0.471  0.251  1.0
  Se  Se17  1  0.772  0.978  0.751  1.0
  Se  Se18  1  0.275  0.471  0.251  1.0
  Se  Se19  1  0.500  0.751  0.502  1.0
  Se  Se20  1  0.000  0.246  0.999  1.0
  Se  Se21  1  0.500  0.250  0.477  1.0
  Se  Se22  1  0.000  0.751  0.978  1.0
  Se  Se23  1  0.271  0.020  0.249  1.0
  Se  Se24  1  0.773  0.525  0.750  1.0
  Se  Se25  1  0.729  0.020  0.249  1.0
  Se  Se26  1  0.227  0.525  0.750  1.0
[/CIF]
.