Materials Data on Li2PNO2 by Materials Project
Li2PO2N crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to one N3- and three equivalent O2- atoms to form distorted LiNO3 tetrahedra that share corners with five equivalent PN2O2 tetrahedra and corners with seven equivalent LiNO3 tetrahedra. The Li–N bond length is 2.10 Å. There are a spread of Li–O bond distances ranging from 1.99–2.01 Å. P5+ is bonded to two equivalent N3- and two equivalent O2- atoms to form PN2O2 tetrahedra that share corners with two equivalent PN2O2 tetrahedra and corners with ten equivalent LiNO3 tetrahedra. Both P–N bond lengths are 1.64 Å. Both P–O bond lengths are 1.57 Å. N3- is bonded to two equivalent Li1+ and two equivalent P5+ atoms to form NLi2P2 tetrahedra that share corners with two equivalent NLi2P2 tetrahedra and corners with ten equivalent OLi3P tetrahedra. O2- is bonded to three equivalent Li1+ and one P5+ atom to form distorted OLi3P tetrahedra that share corners with five equivalent NLi2P2 tetrahedra and corners with seven equivalent OLi3P tetrahedra.