ZnSi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form ZnSi12 cuboctahedra that share corners with four equivalent Zn(1)Si12 cuboctahedra, edges with eight equivalent Zn(1)Si12 cuboctahedra, edges with sixteen equivalent Si(1)Zn4Si8 cuboctahedra, faces with four equivalent Zn(1)Si12 cuboctahedra, and faces with eight equivalent Si(1)Zn4Si8 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Zn(1), four equivalent Si(1), and four equivalent Si(2) atoms to form distorted SiZn4Si8 cuboctahedra that share corners with twelve equivalent Si(1)Zn4Si8 cuboctahedra, edges with eight equivalent Zn(1)Si12 cuboctahedra, edges with eight equivalent Si(1)Zn4Si8 cuboctahedra, faces with four equivalent Zn(1)Si12 cuboctahedra, and faces with ten equivalent Si(1)Zn4Si8 cuboctahedra. In the second Si site, Si(2) is bonded in a distorted square co-planar geometry to four equivalent Zn(1) and eight equivalent Si(1) atoms.
ZnSi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form ZnSi12 cuboctahedra that share corners with four equivalent Zn(1)Si12 cuboctahedra, edges with eight equivalent Zn(1)Si12 cuboctahedra, edges with sixteen equivalent Si(1)Zn4Si8 cuboctahedra, faces with four equivalent Zn(1)Si12 cuboctahedra, and faces with eight equivalent Si(1)Zn4Si8 cuboctahedra. All Zn(1)-Si(2) bond lengths are 2.69 Å. All Zn(1)-Si(1) bond lengths are 2.84 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Zn(1), four equivalent Si(1), and four equivalent Si(2) atoms to form distorted SiZn4Si8 cuboctahedra that share corners with twelve equivalent Si(1)Zn4Si8 cuboctahedra, edges with eight equivalent Zn(1)Si12 cuboctahedra, edges with eight equivalent Si(1)Zn4Si8 cuboctahedra, faces with four equivalent Zn(1)Si12 cuboctahedra, and faces with ten equivalent Si(1)Zn4Si8 cuboctahedra. All Si(1)-Si(1) bond lengths are 2.69 Å. All Si(1)-Si(2) bond lengths are 2.84 Å. In the second Si site, Si(2) is bonded in a distorted square co-planar geometry to four equivalent Zn(1) and eight equivalent Si(1) atoms.