Materials Data on Na4SnSe4 by Materials Project
Na4SnSe4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Se2- atoms to form NaSe5 trigonal bipyramids that share corners with three equivalent SnSe4 tetrahedra, corners with ten equivalent NaSe5 trigonal bipyramids, an edgeedge with one SnSe4 tetrahedra, and edges with five equivalent NaSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.95–3.27 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with twelve equivalent NaSe5 trigonal bipyramids and edges with four equivalent NaSe5 trigonal bipyramids. All Sn–Se bond lengths are 2.57 Å. Se2- is bonded in a 6-coordinate geometry to five equivalent Na1+ and one Sn4+ atom.