MoZn3N4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Mo(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form MoN4 tetrahedra that share corners with four equivalent Zn(2)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. In the second Zn site, Zn(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the second N site, N(2) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the third N site, N(3) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra.
MoZn3N4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Mo(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form MoN4 tetrahedra that share corners with four equivalent Zn(2)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. The Mo(1)-N(2) bond length is 1.86 Å. The Mo(1)-N(3) bond length is 1.85 Å. Both Mo(1)-N(1) bond lengths are 1.88 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. The Zn(1)-N(2) bond length is 2.04 Å. The Zn(1)-N(3) bond length is 2.04 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Zn(1)-N(1) bond length. In the second Zn site, Zn(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. The Zn(2)-N(2) bond length is 2.04 Å. The Zn(2)-N(3) bond length is 2.06 Å. Both Zn(2)-N(1) bond lengths are 2.03 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the second N site, N(2) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the third N site, N(3) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra.