Be3ZnO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. In the second Be site, Be(2) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra, corners with four equivalent Be(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. O(1) is bonded to one Be(1), two equivalent Be(2), and one Zn(1) atom to form corner-sharing OBe3Zn tetrahedra.
Be3ZnO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. All Be(1)-O(1) bond lengths are 1.67 Å. In the second Be site, Be(2) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra, corners with four equivalent Be(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 tetrahedra. All Be(2)-O(1) bond lengths are 1.70 Å. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with eight equivalent Be(2)O4 tetrahedra. All Zn(1)-O(1) bond lengths are 1.95 Å. O(1) is bonded to one Be(1), two equivalent Be(2), and one Zn(1) atom to form corner-sharing OBe3Zn tetrahedra.