LiSiON crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one N(1) and three equivalent O(1) atoms to form LiNO3 tetrahedra that share corners with six equivalent Li(1)NO3 tetrahedra and corners with six equivalent Si(1)N3O tetrahedra. Si(1) is bonded to three equivalent N(1) and one O(1) atom to form SiN3O tetrahedra that share corners with six equivalent Li(1)NO3 tetrahedra and corners with six equivalent Si(1)N3O tetrahedra. N(1) is bonded to one Li(1) and three equivalent Si(1) atoms to form NLiSi3 tetrahedra that share corners with six equivalent N(1)LiSi3 tetrahedra and corners with six equivalent O(1)Li3Si tetrahedra. O(1) is bonded to three equivalent Li(1) and one Si(1) atom to form distorted OLi3Si tetrahedra that share corners with six equivalent N(1)LiSi3 tetrahedra and corners with six equivalent O(1)Li3Si tetrahedra.
LiSiON crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded to one N(1) and three equivalent O(1) atoms to form LiNO3 tetrahedra that share corners with six equivalent Li(1)NO3 tetrahedra and corners with six equivalent Si(1)N3O tetrahedra. The Li(1)-N(1) bond length is 2.30 Å. There are a spread of Li(1)-O(1) bond distances ranging from 1.90-1.97 Å. Si(1) is bonded to three equivalent N(1) and one O(1) atom to form SiN3O tetrahedra that share corners with six equivalent Li(1)NO3 tetrahedra and corners with six equivalent Si(1)N3O tetrahedra. There are two shorter (1.75 Å) and one longer (1.76 Å) Si(1)-N(1) bond length. The Si(1)-O(1) bond length is 1.60 Å. N(1) is bonded to one Li(1) and three equivalent Si(1) atoms to form NLiSi3 tetrahedra that share corners with six equivalent N(1)LiSi3 tetrahedra and corners with six equivalent O(1)Li3Si tetrahedra. O(1) is bonded to three equivalent Li(1) and one Si(1) atom to form distorted OLi3Si tetrahedra that share corners with six equivalent N(1)LiSi3 tetrahedra and corners with six equivalent O(1)Li3Si tetrahedra.