Li3SO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent S(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. In the second Li site, Li(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra, corners with four equivalent Li(2)NO3 tetrahedra, and corners with four equivalent S(1)NO3 tetrahedra. N(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted NLi3S tetrahedra that share corners with four equivalent O(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. S(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form SNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra, corners with four equivalent O(1)Li3S tetrahedra, and corners with four equivalent O(2)Li3S tetrahedra.
Li3SO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent S(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. The Li(1)-N(1) bond length is 2.06 Å. The Li(1)-O(1) bond length is 2.03 Å. Both Li(1)-O(2) bond lengths are 2.14 Å. In the second Li site, Li(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra, corners with four equivalent Li(2)NO3 tetrahedra, and corners with four equivalent S(1)NO3 tetrahedra. The Li(2)-N(1) bond length is 1.99 Å. The Li(2)-O(1) bond length is 1.94 Å. There is one shorter (2.01 Å) and one longer (2.03 Å) Li(2)-O(2) bond length. N(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted NLi3S tetrahedra that share corners with four equivalent O(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. The N(1)-S(1) bond length is 1.49 Å. S(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form SNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. The S(1)-O(1) bond length is 1.54 Å. Both S(1)-O(2) bond lengths are 1.55 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra, corners with four equivalent O(1)Li3S tetrahedra, and corners with four equivalent O(2)Li3S tetrahedra.