Materials Data on Sn3P4 by Materials Project
Sn3P4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Sn3P4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with four equivalent PSn3P tetrahedra. There are two shorter (2.65 Å) and two longer (2.70 Å) Sn–P bond lengths. In the second Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.80 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three Sn4+ and one P3- atom to form distorted corner-sharing PSn3P tetrahedra. The P–P bond length is 2.18 Å. In the second P3- site, P3- is bonded to three equivalent Sn4+ and one P3- atom to form PSn3P tetrahedra that share corners with two equivalent SnP4 tetrahedra and corners with nine PSn3P tetrahedra.