K2Zn3Se4 crystallizes in the orthorhombic Ibam space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Se(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. Se(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Zn(1), and two equivalent Zn(2) atoms.
K2Zn3Se4 crystallizes in the orthorhombic Ibam space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Se(1) atoms. There are a spread of K(1)-Se(1) bond distances ranging from 3.44-3.60 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.47 Å. In the second Zn site, Zn(2) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.56 Å) Zn(2)-Se(1) bond lengths. Se(1) is bonded in a 7-coordinate geometry to four equivalent K(1), one Zn(1), and two equivalent Zn(2) atoms.