The material structure described by FeCu4Cd(SnSe4)2 is Clathrate-derived structured and crystallizes in the tetragonal P-42m space group. Fe(1) is bonded to four equivalent Se(2) atoms to form FeSe4 tetrahedra that share corners with four equivalent Sn(2)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Fe(1)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Sn(1)Se4 tetrahedra, corners with two equivalent Sn(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. In the second Sn site, Sn(2) is bonded to four equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(1), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share corners with four equivalent Se(2)FeCu2Sn tetrahedra and corners with eight equivalent Se(1)CdCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Fe(1), two equivalent Cu(1), and one Sn(2) atom to form SeFeCu2Sn tetrahedra that share corners with four equivalent Se(1)CdCu2Sn tetrahedra and corners with eight equivalent Se(2)FeCu2Sn tetrahedra. is represented by the CIF card [CIF]
data_CdFeCu4(SnSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.838
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.027
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.254  1.0
  Cu  Cu3  1  0.000  0.500  0.746  1.0
  Cu  Cu4  1  0.000  0.500  0.254  1.0
  Cu  Cu5  1  0.500  0.000  0.746  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  Se  Se8  1  0.747  0.747  0.143  1.0
  Se  Se9  1  0.266  0.266  0.631  1.0
  Se  Se10  1  0.253  0.253  0.143  1.0
  Se  Se11  1  0.734  0.734  0.631  1.0
  Se  Se12  1  0.734  0.266  0.369  1.0
  Se  Se13  1  0.253  0.747  0.857  1.0
  Se  Se14  1  0.266  0.734  0.369  1.0
  Se  Se15  1  0.747  0.253  0.857  1.0
[/CIF]
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The material structure described by FeCu4Cd(SnSe4)2 is Clathrate-derived structured and crystallizes in the tetragonal P-42m space group. Fe(1) is bonded to four equivalent Se(2) atoms to form FeSe4 tetrahedra that share corners with four equivalent Sn(2)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Fe(1)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Sn(1)Se4 tetrahedra, corners with two equivalent Sn(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Sn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. In the second Sn site, Sn(2) is bonded to four equivalent Se(2) atoms to form SnSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(1), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share corners with four equivalent Se(2)FeCu2Sn tetrahedra and corners with eight equivalent Se(1)CdCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Fe(1), two equivalent Cu(1), and one Sn(2) atom to form SeFeCu2Sn tetrahedra that share corners with four equivalent Se(1)CdCu2Sn tetrahedra and corners with eight equivalent Se(2)FeCu2Sn tetrahedra. is represented by the CIF card [CIF]
data_CdFeCu4(SnSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.838
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.027
_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
  Cd  Cd0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.254  1.0
  Cu  Cu3  1  0.000  0.500  0.746  1.0
  Cu  Cu4  1  0.000  0.500  0.254  1.0
  Cu  Cu5  1  0.500  0.000  0.746  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  Se  Se8  1  0.747  0.747  0.143  1.0
  Se  Se9  1  0.266  0.266  0.631  1.0
  Se  Se10  1  0.253  0.253  0.143  1.0
  Se  Se11  1  0.734  0.734  0.631  1.0
  Se  Se12  1  0.734  0.266  0.369  1.0
  Se  Se13  1  0.253  0.747  0.857  1.0
  Se  Se14  1  0.266  0.734  0.369  1.0
  Se  Se15  1  0.747  0.253  0.857  1.0
[/CIF]
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