Cd5TeS4 is Enargite-like structured and crystallizes in the monoclinic Cm space group. There are ten inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1) and three equivalent S(6) atoms to form CdS4 tetrahedra that share corners with three equivalent Cd(7)S4 tetrahedra, corners with three equivalent Cd(6)TeS3 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(7) atoms to form corner-sharing CdS4 tetrahedra. In the third Cd site, Cd(3) is bonded to one S(3) and three equivalent S(8) atoms to form corner-sharing CdS4 tetrahedra. In the fourth Cd site, Cd(4) is bonded to three equivalent Te(1) and one S(4) atom to form CdTe3S tetrahedra that share corners with three equivalent Cd(9)S4 tetrahedra, corners with three equivalent Cd(10)TeS3 tetrahedra, and corners with six equivalent Cd(4)Te3S tetrahedra. In the fifth Cd site, Cd(5) is bonded to three equivalent Te(2) and one S(5) atom to form CdTe3S tetrahedra that share corners with three equivalent Cd(10)TeS3 tetrahedra, corners with three equivalent Cd(6)TeS3 tetrahedra, and corners with six equivalent Cd(5)Te3S tetrahedra. In the sixth Cd site, Cd(6) is bonded to one Te(2) and three equivalent S(1) atoms to form CdTeS3 tetrahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(5)Te3S tetrahedra, and corners with six equivalent Cd(6)TeS3 tetrahedra. In the seventh Cd site, Cd(7) is bonded to one S(6) and three equivalent S(2) atoms to form corner-sharing CdS4 tetrahedra. In the eighth Cd site, Cd(8) is bonded to one S(7) and three equivalent S(3) atoms to form corner-sharing CdS4 tetrahedra. In the ninth Cd site, Cd(9) is bonded to one S(8) and three equivalent S(4) atoms to form CdS4 tetrahedra that share corners with three equivalent Cd(3)S4 tetrahedra, corners with three equivalent Cd(4)Te3S tetrahedra, and corners with six equivalent Cd(9)S4 tetrahedra. In the tenth Cd site, Cd(10) is bonded to one Te(1) and three equivalent S(5) atoms to form CdTeS3 tetrahedra that share corners with three equivalent Cd(4)Te3S tetrahedra, corners with three equivalent Cd(5)Te3S tetrahedra, and corners with six equivalent Cd(10)TeS3 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(10) and three equivalent Cd(4) atoms to form TeCd4 tetrahedra that share corners with three equivalent S(4)Cd4 tetrahedra, corners with three equivalent S(5)Cd4 tetrahedra, and corners with six equivalent Te(1)Cd4 tetrahedra. In the second Te site, Te(2) is bonded to one Cd(6) and three equivalent Cd(5) atoms to form TeCd4 tetrahedra that share corners with three equivalent S(1)Cd4 tetrahedra, corners with three equivalent S(5)Cd4 tetrahedra, and corners with six equivalent Te(2)Cd4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Cd(6) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent S(6)Cd4 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(7) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(3) and three equivalent Cd(8) atoms to form corner-sharing SCd4 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(4) and three equivalent Cd(9) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent S(8)Cd4 tetrahedra, and corners with six equivalent S(4)Cd4 tetrahedra. In the fifth S site, S(5) is bonded to one Cd(5) and three equivalent Cd(10) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent Te(2)Cd4 tetrahedra, and corners with six equivalent S(5)Cd4 tetrahedra. In the sixth S site, S(6) is bonded to one Cd(7) and three equivalent Cd(1) atoms to form corner-sharing SCd4 tetrahedra. In the seventh S site, S(7) is bonded to one Cd(8) and three equivalent Cd(2) atoms to form corner-sharing SCd4 tetrahedra. In the eighth S site, S(8) is bonded to one Cd(9) and three equivalent Cd(3) atoms to form corner-sharing SCd4 tetrahedra.
Cd5TeS4 is Enargite-like structured and crystallizes in the monoclinic Cm space group. There are ten inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(1) and three equivalent S(6) atoms to form CdS4 tetrahedra that share corners with three equivalent Cd(7)S4 tetrahedra, corners with three equivalent Cd(6)TeS3 tetrahedra, and corners with six equivalent Cd(1)S4 tetrahedra. The Cd(1)-S(1) bond length is 2.58 Å. All Cd(1)-S(6) bond lengths are 2.59 Å. In the second Cd site, Cd(2) is bonded to one S(2) and three equivalent S(7) atoms to form corner-sharing CdS4 tetrahedra. The Cd(2)-S(2) bond length is 2.60 Å. All Cd(2)-S(7) bond lengths are 2.61 Å. In the third Cd site, Cd(3) is bonded to one S(3) and three equivalent S(8) atoms to form corner-sharing CdS4 tetrahedra. The Cd(3)-S(3) bond length is 2.58 Å. All Cd(3)-S(8) bond lengths are 2.60 Å. In the fourth Cd site, Cd(4) is bonded to three equivalent Te(1) and one S(4) atom to form CdTe3S tetrahedra that share corners with three equivalent Cd(9)S4 tetrahedra, corners with three equivalent Cd(10)TeS3 tetrahedra, and corners with six equivalent Cd(4)Te3S tetrahedra. All Cd(4)-Te(1) bond lengths are 2.78 Å. The Cd(4)-S(4) bond length is 2.54 Å. In the fifth Cd site, Cd(5) is bonded to three equivalent Te(2) and one S(5) atom to form CdTe3S tetrahedra that share corners with three equivalent Cd(10)TeS3 tetrahedra, corners with three equivalent Cd(6)TeS3 tetrahedra, and corners with six equivalent Cd(5)Te3S tetrahedra. There is one shorter (2.77 Å) and two longer (2.78 Å) Cd(5)-Te(2) bond lengths. The Cd(5)-S(5) bond length is 2.55 Å. In the sixth Cd site, Cd(6) is bonded to one Te(2) and three equivalent S(1) atoms to form CdTeS3 tetrahedra that share corners with three equivalent Cd(1)S4 tetrahedra, corners with three equivalent Cd(5)Te3S tetrahedra, and corners with six equivalent Cd(6)TeS3 tetrahedra. The Cd(6)-Te(2) bond length is 2.87 Å. All Cd(6)-S(1) bond lengths are 2.59 Å. In the seventh Cd site, Cd(7) is bonded to one S(6) and three equivalent S(2) atoms to form corner-sharing CdS4 tetrahedra. The Cd(7)-S(6) bond length is 2.59 Å. All Cd(7)-S(2) bond lengths are 2.60 Å. In the eighth Cd site, Cd(8) is bonded to one S(7) and three equivalent S(3) atoms to form corner-sharing CdS4 tetrahedra. The Cd(8)-S(7) bond length is 2.60 Å. All Cd(8)-S(3) bond lengths are 2.61 Å. In the ninth Cd site, Cd(9) is bonded to one S(8) and three equivalent S(4) atoms to form CdS4 tetrahedra that share corners with three equivalent Cd(3)S4 tetrahedra, corners with three equivalent Cd(4)Te3S tetrahedra, and corners with six equivalent Cd(9)S4 tetrahedra. The Cd(9)-S(8) bond length is 2.56 Å. All Cd(9)-S(4) bond lengths are 2.60 Å. In the tenth Cd site, Cd(10) is bonded to one Te(1) and three equivalent S(5) atoms to form CdTeS3 tetrahedra that share corners with three equivalent Cd(4)Te3S tetrahedra, corners with three equivalent Cd(5)Te3S tetrahedra, and corners with six equivalent Cd(10)TeS3 tetrahedra. The Cd(10)-Te(1) bond length is 2.85 Å. All Cd(10)-S(5) bond lengths are 2.60 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(10) and three equivalent Cd(4) atoms to form TeCd4 tetrahedra that share corners with three equivalent S(4)Cd4 tetrahedra, corners with three equivalent S(5)Cd4 tetrahedra, and corners with six equivalent Te(1)Cd4 tetrahedra. In the second Te site, Te(2) is bonded to one Cd(6) and three equivalent Cd(5) atoms to form TeCd4 tetrahedra that share corners with three equivalent S(1)Cd4 tetrahedra, corners with three equivalent S(5)Cd4 tetrahedra, and corners with six equivalent Te(2)Cd4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cd(1) and three equivalent Cd(6) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(2)Cd4 tetrahedra, corners with three equivalent S(6)Cd4 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(7) atoms to form corner-sharing SCd4 tetrahedra. In the third S site, S(3) is bonded to one Cd(3) and three equivalent Cd(8) atoms to form corner-sharing SCd4 tetrahedra. In the fourth S site, S(4) is bonded to one Cd(4) and three equivalent Cd(9) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent S(8)Cd4 tetrahedra, and corners with six equivalent S(4)Cd4 tetrahedra. In the fifth S site, S(5) is bonded to one Cd(5) and three equivalent Cd(10) atoms to form SCd4 tetrahedra that share corners with three equivalent Te(1)Cd4 tetrahedra, corners with three equivalent Te(2)Cd4 tetrahedra, and corners with six equivalent S(5)Cd4 tetrahedra. In the sixth S site, S(6) is bonded to one Cd(7) and three equivalent Cd(1) atoms to form corner-sharing SCd4 tetrahedra. In the seventh S site, S(7) is bonded to one Cd(8) and three equivalent Cd(2) atoms to form corner-sharing SCd4 tetrahedra. In the eighth S site, S(8) is bonded to one Cd(9) and three equivalent Cd(3) atoms to form corner-sharing SCd4 tetrahedra.