The structure described by MnCu4Cd(GeSe4)2 is Clathrate-derived structured and crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one Se(4), one Se(6), and two equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with two equivalent Ge(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and corners with two equivalent Ge(2)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), one Se(3), and one Se(6) atom to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and corners with two equivalent Ge(2)Se4 tetrahedra. Cd(1) is bonded to one Se(3), one Se(5), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with two equivalent Ge(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Se(3), one Se(5), and two equivalent Se(1) atoms to form GeSe4 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. In the second Ge site, Ge(2) is bonded to one Se(4), one Se(6), and two equivalent Se(2) atoms to form GeSe4 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 six inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Ge(1) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(2)CdCu2Ge tetrahedra, corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(1)MnCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, and corners with two equivalent Se(6)MnCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(2) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(2)CdCu2Ge tetrahedra, corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(1)MnCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, and corners with two equivalent Se(6)MnCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(2), one Cd(1), and one Ge(1) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(6)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the fourth Se site, Se(4) is bonded to one Mn(1), two equivalent Cu(1), and one Ge(2) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(6)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the fifth Se site, Se(5) is bonded to two equivalent Cu(1), one Cd(1), and one Ge(1) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the sixth Se site, Se(6) is bonded to one Mn(1), two equivalent Cu(2), and one Ge(2) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_MnCdCu4(GeSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.916
_cell_length_c   8.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.220
_symmetry_Int_Tables_number   1
_cell_volume   373.441
_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  0.303  0.340  0.000  1.0
  Cd  Cd1  1  0.804  0.660  0.500  1.0
  Cu  Cu2  1  0.304  0.825  0.248  1.0
  Cu  Cu3  1  0.304  0.825  0.752  1.0
  Cu  Cu4  1  0.801  0.177  0.248  1.0
  Cu  Cu5  1  0.801  0.177  0.752  1.0
  Ge  Ge6  1  0.308  0.323  0.500  1.0
  Ge  Ge7  1  0.807  0.673  0.000  1.0
  Se  Se8  1  0.435  0.158  0.255  1.0
  Se  Se9  1  0.435  0.158  0.745  1.0
  Se  Se10  1  0.939  0.851  0.234  1.0
  Se  Se11  1  0.939  0.851  0.766  1.0
  Se  Se12  1  0.941  0.298  0.500  1.0
  Se  Se13  1  0.438  0.683  0.000  1.0
  Se  Se14  1  0.401  0.663  0.500  1.0
  Se  Se15  1  0.920  0.339  0.000  1.0
[/CIF]
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The structure described by MnCu4Cd(GeSe4)2 is Clathrate-derived structured and crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one Se(4), one Se(6), and two equivalent Se(1) atoms to form MnSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with two equivalent Ge(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(5) atom to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and corners with two equivalent Ge(2)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), one Se(3), and one Se(6) atom to form CuSe4 tetrahedra that share corners with two equivalent Mn(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cd(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and corners with two equivalent Ge(2)Se4 tetrahedra. Cd(1) is bonded to one Se(3), one Se(5), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with two equivalent Ge(2)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent Cu(2)Se4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Se(3), one Se(5), and two equivalent Se(1) atoms to form GeSe4 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. In the second Ge site, Ge(2) is bonded to one Se(4), one Se(6), and two equivalent Se(2) atoms to form GeSe4 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 six inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1), one Cu(1), one Cu(2), and one Ge(1) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(2)CdCu2Ge tetrahedra, corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(1)MnCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, and corners with two equivalent Se(6)MnCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(2) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(2)CdCu2Ge tetrahedra, corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(1)MnCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, and corners with two equivalent Se(6)MnCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(2), one Cd(1), and one Ge(1) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(6)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the fourth Se site, Se(4) is bonded to one Mn(1), two equivalent Cu(1), and one Ge(2) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(5)CdCu2Ge tetrahedra, corners with two equivalent Se(6)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the fifth Se site, Se(5) is bonded to two equivalent Cu(1), one Cd(1), and one Ge(1) atom to form SeCdCu2Ge tetrahedra that share corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. In the sixth Se site, Se(6) is bonded to one Mn(1), two equivalent Cu(2), and one Ge(2) atom to form SeMnCu2Ge tetrahedra that share corners with two equivalent Se(3)CdCu2Ge tetrahedra, corners with two equivalent Se(4)MnCu2Ge tetrahedra, corners with four equivalent Se(2)CdCu2Ge tetrahedra, and corners with four equivalent Se(1)MnCu2Ge tetrahedra. is represented by the CIF card [CIF]
data_MnCdCu4(GeSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.916
_cell_length_c   8.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.220
_symmetry_Int_Tables_number   1
_cell_volume   373.441
_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  0.303  0.340  0.000  1.0
  Cd  Cd1  1  0.804  0.660  0.500  1.0
  Cu  Cu2  1  0.304  0.825  0.248  1.0
  Cu  Cu3  1  0.304  0.825  0.752  1.0
  Cu  Cu4  1  0.801  0.177  0.248  1.0
  Cu  Cu5  1  0.801  0.177  0.752  1.0
  Ge  Ge6  1  0.308  0.323  0.500  1.0
  Ge  Ge7  1  0.807  0.673  0.000  1.0
  Se  Se8  1  0.435  0.158  0.255  1.0
  Se  Se9  1  0.435  0.158  0.745  1.0
  Se  Se10  1  0.939  0.851  0.234  1.0
  Se  Se11  1  0.939  0.851  0.766  1.0
  Se  Se12  1  0.941  0.298  0.500  1.0
  Se  Se13  1  0.438  0.683  0.000  1.0
  Se  Se14  1  0.401  0.663  0.500  1.0
  Se  Se15  1  0.920  0.339  0.000  1.0
[/CIF]
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