BeZn3S4 is Enargite-like structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to one S(4) and three equivalent S(3) atoms to form BeS4 tetrahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(3)S4 tetrahedra, and corners with six equivalent Be(1)S4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(4) atoms to form ZnS4 tetrahedra that share corners with three equivalent Be(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and corners with six equivalent Zn(1)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(3) is bonded to one S(3) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with three equivalent Be(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and corners with six equivalent Zn(3)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SZn4 tetrahedra that share corners with three equivalent S(4)BeZn3 tetrahedra, corners with three equivalent S(2)Zn4 tetrahedra, and corners with six equivalent S(1)Zn4 tetrahedra. In the second S site, S(2) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form SZn4 tetrahedra that share corners with three equivalent S(3)Be3Zn tetrahedra, corners with three equivalent S(1)Zn4 tetrahedra, and corners with six equivalent S(2)Zn4 tetrahedra. In the third S site, S(3) is bonded to three equivalent Be(1) and one Zn(3) atom to form SBe3Zn tetrahedra that share corners with three equivalent S(4)BeZn3 tetrahedra, corners with three equivalent S(2)Zn4 tetrahedra, and corners with six equivalent S(3)Be3Zn tetrahedra. In the fourth S site, S(4) is bonded to one Be(1) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with three equivalent S(3)Be3Zn tetrahedra, corners with three equivalent S(1)Zn4 tetrahedra, and corners with six equivalent S(4)BeZn3 tetrahedra.
BeZn3S4 is Enargite-like structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to one S(4) and three equivalent S(3) atoms to form BeS4 tetrahedra that share corners with three equivalent Zn(1)S4 tetrahedra, corners with three equivalent Zn(3)S4 tetrahedra, and corners with six equivalent Be(1)S4 tetrahedra. The Be(1)-S(4) bond length is 2.10 Å. All Be(1)-S(3) bond lengths are 2.25 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(4) atoms to form ZnS4 tetrahedra that share corners with three equivalent Be(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and corners with six equivalent Zn(1)S4 tetrahedra. The Zn(1)-S(1) bond length is 2.34 Å. All Zn(1)-S(4) bond lengths are 2.33 Å. In the second Zn site, Zn(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing ZnS4 tetrahedra. The Zn(2)-S(2) bond length is 2.34 Å. All Zn(2)-S(1) bond lengths are 2.33 Å. In the third Zn site, Zn(3) is bonded to one S(3) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with three equivalent Be(1)S4 tetrahedra, corners with three equivalent Zn(2)S4 tetrahedra, and corners with six equivalent Zn(3)S4 tetrahedra. The Zn(3)-S(3) bond length is 2.35 Å. All Zn(3)-S(2) bond lengths are 2.33 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SZn4 tetrahedra that share corners with three equivalent S(4)BeZn3 tetrahedra, corners with three equivalent S(2)Zn4 tetrahedra, and corners with six equivalent S(1)Zn4 tetrahedra. In the second S site, S(2) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form SZn4 tetrahedra that share corners with three equivalent S(3)Be3Zn tetrahedra, corners with three equivalent S(1)Zn4 tetrahedra, and corners with six equivalent S(2)Zn4 tetrahedra. In the third S site, S(3) is bonded to three equivalent Be(1) and one Zn(3) atom to form SBe3Zn tetrahedra that share corners with three equivalent S(4)BeZn3 tetrahedra, corners with three equivalent S(2)Zn4 tetrahedra, and corners with six equivalent S(3)Be3Zn tetrahedra. In the fourth S site, S(4) is bonded to one Be(1) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with three equivalent S(3)Be3Zn tetrahedra, corners with three equivalent S(1)Zn4 tetrahedra, and corners with six equivalent S(4)BeZn3 tetrahedra.