The structure described by MnCd4S5 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(5) and three equivalent S(4) atoms to form MnS4 tetrahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(4)S4 tetrahedra, and corners with six equivalent Mn(1)S4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1) and three equivalent S(5) atoms to form CdS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with six equivalent Cd(1)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(3) and three equivalent S(2) atoms to form corner-sharing CdS4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(4) and three equivalent S(3) atoms to form CdS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Cd(3)S4 tetrahedra, and corners with six equivalent Cd(4)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with three equivalent S(2)Cd4 tetrahedra, corners with three equivalent S(5)MnCd3 tetrahedra, and corners with six equivalent S(1)Cd4 tetrahedra. In the second S site, S(2) is bonded to one Cd(2) and three equivalent Cd(3) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(3) and three equivalent Cd(4) atoms to form SCd4 tetrahedra that share corners with three equivalent S(2)Cd4 tetrahedra, corners with three equivalent S(4)Mn3Cd tetrahedra, and corners with six equivalent S(3)Cd4 tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Mn(1) and one Cd(4) atom to form SMn3Cd tetrahedra that share corners with three equivalent S(3)Cd4 tetrahedra, corners with three equivalent S(5)MnCd3 tetrahedra, and corners with six equivalent S(4)Mn3Cd tetrahedra. In the fifth S site, S(5) is bonded to one Mn(1) and three equivalent Cd(1) atoms to form SMnCd3 tetrahedra that share corners with three equivalent S(1)Cd4 tetrahedra, corners with three equivalent S(4)Mn3Cd tetrahedra, and corners with six equivalent S(5)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_MnCd4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.106
_cell_length_b   17.106
_cell_length_c   17.106
_cell_angle_alpha   13.984
_cell_angle_beta   13.984
_cell_angle_gamma   13.984
_symmetry_Int_Tables_number   1
_cell_volume   254.419
_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  0.400  0.400  0.400  1.0
  Cd  Cd1  1  0.001  0.001  0.001  1.0
  Cd  Cd2  1  0.600  0.600  0.600  1.0
  Cd  Cd3  1  0.200  0.200  0.200  1.0
  Cd  Cd4  1  0.798  0.798  0.798  1.0
  S  S5  1  0.951  0.951  0.951  1.0
  S  S6  1  0.550  0.550  0.550  1.0
  S  S7  1  0.149  0.149  0.149  1.0
  S  S8  1  0.747  0.747  0.747  1.0
  S  S9  1  0.353  0.353  0.353  1.0
[/CIF]
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The structure described by MnCd4S5 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(5) and three equivalent S(4) atoms to form MnS4 tetrahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(4)S4 tetrahedra, and corners with six equivalent Mn(1)S4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1) and three equivalent S(5) atoms to form CdS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with six equivalent Cd(1)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing CdS4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(3) and three equivalent S(2) atoms to form corner-sharing CdS4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(4) and three equivalent S(3) atoms to form CdS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Cd(3)S4 tetrahedra, and corners with six equivalent Cd(4)S4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with three equivalent S(2)Cd4 tetrahedra, corners with three equivalent S(5)MnCd3 tetrahedra, and corners with six equivalent S(1)Cd4 tetrahedra. In the second S site, S(2) is bonded to one Cd(2) and three equivalent Cd(3) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(3) and three equivalent Cd(4) atoms to form SCd4 tetrahedra that share corners with three equivalent S(2)Cd4 tetrahedra, corners with three equivalent S(4)Mn3Cd tetrahedra, and corners with six equivalent S(3)Cd4 tetrahedra. In the fourth S site, S(4) is bonded to three equivalent Mn(1) and one Cd(4) atom to form SMn3Cd tetrahedra that share corners with three equivalent S(3)Cd4 tetrahedra, corners with three equivalent S(5)MnCd3 tetrahedra, and corners with six equivalent S(4)Mn3Cd tetrahedra. In the fifth S site, S(5) is bonded to one Mn(1) and three equivalent Cd(1) atoms to form SMnCd3 tetrahedra that share corners with three equivalent S(1)Cd4 tetrahedra, corners with three equivalent S(4)Mn3Cd tetrahedra, and corners with six equivalent S(5)MnCd3 tetrahedra. is represented by the CIF card [CIF]
data_MnCd4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.106
_cell_length_b   17.106
_cell_length_c   17.106
_cell_angle_alpha   13.984
_cell_angle_beta   13.984
_cell_angle_gamma   13.984
_symmetry_Int_Tables_number   1
_cell_volume   254.419
_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  0.400  0.400  0.400  1.0
  Cd  Cd1  1  0.001  0.001  0.001  1.0
  Cd  Cd2  1  0.600  0.600  0.600  1.0
  Cd  Cd3  1  0.200  0.200  0.200  1.0
  Cd  Cd4  1  0.798  0.798  0.798  1.0
  S  S5  1  0.951  0.951  0.951  1.0
  S  S6  1  0.550  0.550  0.550  1.0
  S  S7  1  0.149  0.149  0.149  1.0
  S  S8  1  0.747  0.747  0.747  1.0
  S  S9  1  0.353  0.353  0.353  1.0
[/CIF]
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