Materials Data on ZnGeAsP by Materials Project

Abstract

ZnGeAsP is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent As3- and two equivalent P3- atoms to form ZnAs2P2 tetrahedra that share corners with four equivalent ZnAs2P2 tetrahedra and corners with eight equivalent GeAs2P2 tetrahedra. Both Zn–As bond lengths are 2.46 Å. Both Zn–P bond lengths are 2.41 Å. Ge4+ is bonded to two equivalent As3- and two equivalent P3- atoms to form GeAs2P2 tetrahedra that share corners with four equivalent GeAs2P2 tetrahedra and corners with eight equivalent ZnAs2P2 tetrahedra. Both Ge–As bond lengths are 2.46 Å. Both Ge–P bond lengths are 2.38 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form AsZn2Ge2 tetrahedra that share corners with four equivalent AsZn2Ge2 tetrahedra and corners with eight equivalent PZn2Ge2 tetrahedra. P3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form PZn2Ge2 tetrahedra that share corners with four equivalent PZn2Ge2 tetrahedra and corners with eight equivalent AsZn2Ge2 tetrahedra.