The material described by MnCu4Cd(SnSe4)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. Mn(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form MnSe4 tetrahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Sn(1)Se4 tetrahedra, and corners with six equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Mn(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), and two equivalent Se(4) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Cd(1) is bonded to two equivalent Se(1) and two equivalent Se(4) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Sn(1)Se4 tetrahedra, and corners with six equivalent Cu(2)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form SnSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share  a cornercorner with one Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(2)MnCu2Sn tetrahedra, corners with three equivalent Se(3)MnCu2Sn tetrahedra, and corners with five equivalent Se(4)CdCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Sn(1) atom to form SeMnCu2Sn tetrahedra that share  a cornercorner with one Se(2)MnCu2Sn tetrahedra, corners with three equivalent Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(4)CdCu2Sn tetrahedra, and corners with five equivalent Se(3)MnCu2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Cu(1), and one Sn(1) atom to form SeMnCu2Sn tetrahedra that share  a cornercorner with one Se(4)CdCu2Sn tetrahedra, corners with three equivalent Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(3)MnCu2Sn tetrahedra, and corners with five equivalent Se(2)MnCu2Sn tetrahedra. In the fourth Se site, Se(4) is bonded to two equivalent Cu(2), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share  a cornercorner with one Se(3)MnCu2Sn tetrahedra, corners with three equivalent Se(4)CdCu2Sn tetrahedra, corners with three equivalent Se(2)MnCu2Sn tetrahedra, and corners with five equivalent Se(1)CdCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCdCu4(SnSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.116
_cell_length_b   7.116
_cell_length_c   11.689
_cell_angle_alpha   65.812
_cell_angle_beta   65.812
_cell_angle_gamma   48.513
_symmetry_Int_Tables_number   1
_cell_volume   396.073
_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
  Mn  Mn0  1  1.000  0.000  0.000  1.0
  Cd  Cd1  1  1.000  0.000  0.500  1.0
  Cu  Cu2  1  0.750  0.749  0.876  1.0
  Cu  Cu3  1  0.750  0.751  0.374  1.0
  Cu  Cu4  1  0.251  0.250  0.124  1.0
  Cu  Cu5  1  0.249  0.250  0.626  1.0
  Sn  Sn6  1  0.500  0.500  0.752  1.0
  Sn  Sn7  1  0.500  0.500  0.248  1.0
  Se  Se8  1  0.602  0.113  0.699  1.0
  Se  Se9  1  0.621  0.108  0.189  1.0
  Se  Se10  1  0.107  0.622  0.946  1.0
  Se  Se11  1  0.113  0.601  0.444  1.0
  Se  Se12  1  0.378  0.893  0.054  1.0
  Se  Se13  1  0.399  0.887  0.556  1.0
  Se  Se14  1  0.887  0.398  0.301  1.0
  Se  Se15  1  0.892  0.379  0.811  1.0
[/CIF]
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The material described by MnCu4Cd(SnSe4)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. Mn(1) is bonded to two equivalent Se(2) and two equivalent Se(3) atoms to form MnSe4 tetrahedra that share corners with two equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Sn(1)Se4 tetrahedra, and corners with six equivalent Cu(1)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Cd(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Mn(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), and two equivalent Se(4) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Sn(1)Se4 tetrahedra. Cd(1) is bonded to two equivalent Se(1) and two equivalent Se(4) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Sn(1)Se4 tetrahedra, and corners with six equivalent Cu(2)Se4 tetrahedra. Sn(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form SnSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share  a cornercorner with one Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(2)MnCu2Sn tetrahedra, corners with three equivalent Se(3)MnCu2Sn tetrahedra, and corners with five equivalent Se(4)CdCu2Sn tetrahedra. In the second Se site, Se(2) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Sn(1) atom to form SeMnCu2Sn tetrahedra that share  a cornercorner with one Se(2)MnCu2Sn tetrahedra, corners with three equivalent Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(4)CdCu2Sn tetrahedra, and corners with five equivalent Se(3)MnCu2Sn tetrahedra. In the third Se site, Se(3) is bonded to one Mn(1), two equivalent Cu(1), and one Sn(1) atom to form SeMnCu2Sn tetrahedra that share  a cornercorner with one Se(4)CdCu2Sn tetrahedra, corners with three equivalent Se(1)CdCu2Sn tetrahedra, corners with three equivalent Se(3)MnCu2Sn tetrahedra, and corners with five equivalent Se(2)MnCu2Sn tetrahedra. In the fourth Se site, Se(4) is bonded to two equivalent Cu(2), one Cd(1), and one Sn(1) atom to form SeCdCu2Sn tetrahedra that share  a cornercorner with one Se(3)MnCu2Sn tetrahedra, corners with three equivalent Se(4)CdCu2Sn tetrahedra, corners with three equivalent Se(2)MnCu2Sn tetrahedra, and corners with five equivalent Se(1)CdCu2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCdCu4(SnSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.116
_cell_length_b   7.116
_cell_length_c   11.689
_cell_angle_alpha   65.812
_cell_angle_beta   65.812
_cell_angle_gamma   48.513
_symmetry_Int_Tables_number   1
_cell_volume   396.073
_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
  Mn  Mn0  1  1.000  0.000  0.000  1.0
  Cd  Cd1  1  1.000  0.000  0.500  1.0
  Cu  Cu2  1  0.750  0.749  0.876  1.0
  Cu  Cu3  1  0.750  0.751  0.374  1.0
  Cu  Cu4  1  0.251  0.250  0.124  1.0
  Cu  Cu5  1  0.249  0.250  0.626  1.0
  Sn  Sn6  1  0.500  0.500  0.752  1.0
  Sn  Sn7  1  0.500  0.500  0.248  1.0
  Se  Se8  1  0.602  0.113  0.699  1.0
  Se  Se9  1  0.621  0.108  0.189  1.0
  Se  Se10  1  0.107  0.622  0.946  1.0
  Se  Se11  1  0.113  0.601  0.444  1.0
  Se  Se12  1  0.378  0.893  0.054  1.0
  Se  Se13  1  0.399  0.887  0.556  1.0
  Se  Se14  1  0.887  0.398  0.301  1.0
  Se  Se15  1  0.892  0.379  0.811  1.0
[/CIF]
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