Be3ZnS4 is Enargite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one S(2) and three equivalent S(1) atoms to form BeS4 tetrahedra that share corners with three equivalent Be(2)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and corners with six equivalent Be(1)S4 tetrahedra. In the second Be site, Be(2) is bonded to one S(3) and three equivalent S(2) atoms to form corner-sharing BeS4 tetrahedra. In the third Be site, Be(3) is bonded to one S(4) and three equivalent S(3) atoms to form BeS4 tetrahedra that share corners with three equivalent Be(2)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and corners with six equivalent Be(3)S4 tetrahedra. 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 Be(3)S4 tetrahedra, and corners with six equivalent Zn(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Be(1) and one Zn(1) atom to form SBe3Zn tetrahedra that share corners with three equivalent S(2)Be4 tetrahedra, corners with three equivalent S(4)BeZn3 tetrahedra, and corners with six equivalent S(1)Be3Zn tetrahedra. In the second S site, S(2) is bonded to one Be(1) and three equivalent Be(2) atoms to form SBe4 tetrahedra that share corners with three equivalent S(1)Be3Zn tetrahedra, corners with three equivalent S(3)Be4 tetrahedra, and corners with six equivalent S(2)Be4 tetrahedra. In the third S site, S(3) is bonded to one Be(2) and three equivalent Be(3) atoms to form SBe4 tetrahedra that share corners with three equivalent S(2)Be4 tetrahedra, corners with three equivalent S(4)BeZn3 tetrahedra, and corners with six equivalent S(3)Be4 tetrahedra. In the fourth S site, S(4) is bonded to one Be(3) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with three equivalent S(1)Be3Zn tetrahedra, corners with three equivalent S(3)Be4 tetrahedra, and corners with six equivalent S(4)BeZn3 tetrahedra.
Be3ZnS4 is Enargite-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded to one S(2) and three equivalent S(1) atoms to form BeS4 tetrahedra that share corners with three equivalent Be(2)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and corners with six equivalent Be(1)S4 tetrahedra. The Be(1)-S(2) bond length is 2.11 Å. All Be(1)-S(1) bond lengths are 2.15 Å. In the second Be site, Be(2) is bonded to one S(3) and three equivalent S(2) atoms to form corner-sharing BeS4 tetrahedra. The Be(2)-S(3) bond length is 2.11 Å. All Be(2)-S(2) bond lengths are 2.16 Å. In the third Be site, Be(3) is bonded to one S(4) and three equivalent S(3) atoms to form BeS4 tetrahedra that share corners with three equivalent Be(2)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and corners with six equivalent Be(3)S4 tetrahedra. The Be(3)-S(4) bond length is 2.09 Å. All Be(3)-S(3) bond lengths are 2.16 Å. 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 Be(3)S4 tetrahedra, and corners with six equivalent Zn(1)S4 tetrahedra. The Zn(1)-S(1) bond length is 2.33 Å. All Zn(1)-S(4) bond lengths are 2.27 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Be(1) and one Zn(1) atom to form SBe3Zn tetrahedra that share corners with three equivalent S(2)Be4 tetrahedra, corners with three equivalent S(4)BeZn3 tetrahedra, and corners with six equivalent S(1)Be3Zn tetrahedra. In the second S site, S(2) is bonded to one Be(1) and three equivalent Be(2) atoms to form SBe4 tetrahedra that share corners with three equivalent S(1)Be3Zn tetrahedra, corners with three equivalent S(3)Be4 tetrahedra, and corners with six equivalent S(2)Be4 tetrahedra. In the third S site, S(3) is bonded to one Be(2) and three equivalent Be(3) atoms to form SBe4 tetrahedra that share corners with three equivalent S(2)Be4 tetrahedra, corners with three equivalent S(4)BeZn3 tetrahedra, and corners with six equivalent S(3)Be4 tetrahedra. In the fourth S site, S(4) is bonded to one Be(3) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with three equivalent S(1)Be3Zn tetrahedra, corners with three equivalent S(3)Be4 tetrahedra, and corners with six equivalent S(4)BeZn3 tetrahedra.