Zn2Si2As3P is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), two equivalent As(2), and one P(1) atom to form ZnAs3P tetrahedra that share corners with four equivalent Zn(1)As3P tetrahedra and corners with eight equivalent Si(1)As3P tetrahedra. Si(1) is bonded to one As(1), two equivalent As(2), and one P(1) atom to form SiAs3P tetrahedra that share corners with four equivalent Si(1)As3P tetrahedra and corners with eight equivalent Zn(1)As3P tetrahedra. There are two inequivalent As sites. In the first As site, 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 As(2)Zn2Si2 tetrahedra. In the second As site, As(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent As(2)Zn2Si2 tetrahedra, and corners with four equivalent P(1)Zn2Si2 tetrahedra. 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 As(2)Zn2Si2 tetrahedra.
Zn2Si2As3P is Stannite-like structured and crystallizes in the monoclinic C2 space group. Zn(1) is bonded to one As(1), two equivalent As(2), and one P(1) atom to form ZnAs3P tetrahedra that share corners with four equivalent Zn(1)As3P tetrahedra and corners with eight equivalent Si(1)As3P tetrahedra. The Zn(1)-As(1) bond length is 2.49 Å. Both Zn(1)-As(2) bond lengths are 2.47 Å. The Zn(1)-P(1) bond length is 2.40 Å. Si(1) is bonded to one As(1), two equivalent As(2), and one P(1) atom to form SiAs3P tetrahedra that share corners with four equivalent Si(1)As3P tetrahedra and corners with eight equivalent Zn(1)As3P tetrahedra. The Si(1)-As(1) bond length is 2.39 Å. There is one shorter (2.38 Å) and one longer (2.39 Å) Si(1)-As(2) bond length. The Si(1)-P(1) bond length is 2.29 Å. There are two inequivalent As sites. In the first As site, 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 As(2)Zn2Si2 tetrahedra. In the second As site, As(2) is bonded to two equivalent Zn(1) and two equivalent Si(1) atoms to form AsZn2Si2 tetrahedra that share corners with four equivalent As(1)Zn2Si2 tetrahedra, corners with four equivalent As(2)Zn2Si2 tetrahedra, and corners with four equivalent P(1)Zn2Si2 tetrahedra. 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 As(2)Zn2Si2 tetrahedra.