Zn2Si2AsP3 is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form ZnAsP3 tetrahedra that share corners with four equivalent Zn(1)AsP3 tetrahedra and corners with eight equivalent Si(1)AsP3 tetrahedra. Si(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form SiAsP3 tetrahedra that share corners with four equivalent Si(1)AsP3 tetrahedra and corners with eight equivalent Zn(1)AsP3 tetrahedra. As(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent P(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent P(1)Zn2Si2 tetrahedra, and corners with four equivalent P(2)Zn2Si2 tetrahedra.
Zn2Si2AsP3 is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form ZnAsP3 tetrahedra that share corners with four equivalent Zn(1)AsP3 tetrahedra and corners with eight equivalent Si(1)AsP3 tetrahedra. The Zn(1)-As(1) bond length is 2.46 Å. The Zn(1)-P(1) bond length is 2.38 Å. Both Zn(1)-P(2) bond lengths are 2.40 Å. Si(1) is bonded to one As(1), one P(1), and two equivalent P(2) atoms to form SiAsP3 tetrahedra that share corners with four equivalent Si(1)AsP3 tetrahedra and corners with eight equivalent Zn(1)AsP3 tetrahedra. The Si(1)-As(1) bond length is 2.37 Å. The Si(1)-P(1) bond length is 2.27 Å. Both Si(1)-P(2) bond lengths are 2.28 Å. As(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent P(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra and corners with eight equivalent P(2)Zn2Si2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form PZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent P(1)Zn2Si2 tetrahedra, and corners with four equivalent P(2)Zn2Si2 tetrahedra.