MnCd4S5 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. Mn(1) is bonded to one S(2), one S(5), and two equivalent S(1) atoms to form MnS4 tetrahedra that share  a cornercorner with one Cd(5)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra, corners with three equivalent Cd(4)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form CdS4 tetrahedra that share  a cornercorner with one Cd(3)S4 tetrahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(4)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. In the second Cd site, Cd(2) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(2)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with two equivalent Cd(4)S4 tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, and corners with three equivalent Cd(1)S4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(3), one S(6), and two equivalent S(4) atoms to form corner-sharing CdS4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(4)S4 tetrahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, and corners with three equivalent Mn(1)S4 tetrahedra. In the fifth Cd site, Cd(5) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with four equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Cd(4)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1), one Cd(1), and one Cd(4) atom to form SMn2Cd2 tetrahedra that share  a cornercorner with one S(3)Cd4 tetrahedra, corners with two equivalent S(4)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with three equivalent S(2)MnCd3 tetrahedra, and corners with four equivalent S(5)MnCd3 tetrahedra. In the second S site, S(2) is bonded to one Mn(1), one Cd(2), one Cd(4), and one Cd(5) atom to form SMnCd3 tetrahedra that share  a cornercorner with one S(2)MnCd3 tetrahedra, corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(4)Cd4 tetrahedra, corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, and corners with three equivalent S(1)Mn2Cd2 tetrahedra. In the third S site, S(3) is bonded to one Cd(3), one Cd(5), and two equivalent Cd(4) atoms to form SCd4 tetrahedra that share corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with four equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(2)MnCd3 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form SCd4 tetrahedra that share  a cornercorner with one S(4)Cd4 tetrahedra, corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with two equivalent S(2)MnCd3 tetrahedra, and corners with three equivalent S(5)MnCd3 tetrahedra. In the fifth S site, S(5) is bonded to one Mn(1), one Cd(2), and two equivalent Cd(1) atoms to form SMnCd3 tetrahedra that share  a cornercorner with one S(6)Cd4 tetrahedra, corners with two equivalent S(2)MnCd3 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, corners with three equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(1)Mn2Cd2 tetrahedra. In the sixth S site, S(6) is bonded to one Cd(3), one Cd(5), and two equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, corners with four equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(2)MnCd3 tetrahedra.
MnCd4S5 is Chalcopyrite-like structured and crystallizes in the monoclinic Cm space group. Mn(1) is bonded to one S(2), one S(5), and two equivalent S(1) atoms to form MnS4 tetrahedra that share  a cornercorner with one Cd(5)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra, corners with three equivalent Cd(4)S4 tetrahedra, and corners with four equivalent Cd(1)S4 tetrahedra. The Mn(1)-S(2) bond length is 2.43 Å. The Mn(1)-S(5) bond length is 2.42 Å. There is one shorter (2.44 Å) and one longer (2.45 Å) Mn(1)-S(1) bond length. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1), one S(4), and two equivalent S(5) atoms to form CdS4 tetrahedra that share  a cornercorner with one Cd(3)S4 tetrahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(4)S4 tetrahedra, corners with three equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Mn(1)S4 tetrahedra. The Cd(1)-S(1) bond length is 2.56 Å. The Cd(1)-S(4) bond length is 2.54 Å. There is one shorter (2.54 Å) and one longer (2.55 Å) Cd(1)-S(5) bond length. In the second Cd site, Cd(2) is bonded to one S(2), one S(4), one S(5), and one S(6) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(2)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with two equivalent Cd(4)S4 tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, and corners with three equivalent Cd(1)S4 tetrahedra. The Cd(2)-S(2) bond length is 2.55 Å. The Cd(2)-S(4) bond length is 2.54 Å. The Cd(2)-S(5) bond length is 2.54 Å. The Cd(2)-S(6) bond length is 2.54 Å. In the third Cd site, Cd(3) is bonded to one S(3), one S(6), and two equivalent S(4) atoms to form corner-sharing CdS4 tetrahedra. The Cd(3)-S(3) bond length is 2.55 Å. The Cd(3)-S(6) bond length is 2.54 Å. Both Cd(3)-S(4) bond lengths are 2.53 Å. In the fourth Cd site, Cd(4) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CdS4 tetrahedra that share  a cornercorner with one Cd(4)S4 tetrahedra, corners with two equivalent Cd(1)S4 tetrahedra, corners with two equivalent Cd(2)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with two equivalent Cd(5)S4 tetrahedra, and corners with three equivalent Mn(1)S4 tetrahedra. The Cd(4)-S(1) bond length is 2.56 Å. The Cd(4)-S(2) bond length is 2.56 Å. The Cd(4)-S(3) bond length is 2.55 Å. The Cd(4)-S(4) bond length is 2.55 Å. In the fifth Cd site, Cd(5) is bonded to one S(3), one S(6), and two equivalent S(2) atoms to form CdS4 tetrahedra that share corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cd(3)S4 tetrahedra, corners with four equivalent Cd(2)S4 tetrahedra, and corners with four equivalent Cd(4)S4 tetrahedra. The Cd(5)-S(3) bond length is 2.55 Å. The Cd(5)-S(6) bond length is 2.55 Å. Both Cd(5)-S(2) bond lengths are 2.56 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1), one Cd(1), and one Cd(4) atom to form SMn2Cd2 tetrahedra that share  a cornercorner with one S(3)Cd4 tetrahedra, corners with two equivalent S(4)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with three equivalent S(2)MnCd3 tetrahedra, and corners with four equivalent S(5)MnCd3 tetrahedra. In the second S site, S(2) is bonded to one Mn(1), one Cd(2), one Cd(4), and one Cd(5) atom to form SMnCd3 tetrahedra that share  a cornercorner with one S(2)MnCd3 tetrahedra, corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(4)Cd4 tetrahedra, corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, and corners with three equivalent S(1)Mn2Cd2 tetrahedra. In the third S site, S(3) is bonded to one Cd(3), one Cd(5), and two equivalent Cd(4) atoms to form SCd4 tetrahedra that share corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with four equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(2)MnCd3 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(1), one Cd(2), one Cd(3), and one Cd(4) atom to form SCd4 tetrahedra that share  a cornercorner with one S(4)Cd4 tetrahedra, corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(6)Cd4 tetrahedra, corners with two equivalent S(1)Mn2Cd2 tetrahedra, corners with two equivalent S(2)MnCd3 tetrahedra, and corners with three equivalent S(5)MnCd3 tetrahedra. In the fifth S site, S(5) is bonded to one Mn(1), one Cd(2), and two equivalent Cd(1) atoms to form SMnCd3 tetrahedra that share  a cornercorner with one S(6)Cd4 tetrahedra, corners with two equivalent S(2)MnCd3 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, corners with three equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(1)Mn2Cd2 tetrahedra. In the sixth S site, S(6) is bonded to one Cd(3), one Cd(5), and two equivalent Cd(2) atoms to form SCd4 tetrahedra that share corners with two equivalent S(3)Cd4 tetrahedra, corners with two equivalent S(5)MnCd3 tetrahedra, corners with four equivalent S(4)Cd4 tetrahedra, and corners with four equivalent S(2)MnCd3 tetrahedra.