Materials Data on Sr3Sn4Bi by Materials Project
Sr3Sn4Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to eight equivalent Sn and two equivalent Bi atoms. All Sr–Sn bond lengths are 3.56 Å. Both Sr–Bi bond lengths are 3.24 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to six equivalent Sn and two equivalent Bi atoms. There are two shorter (3.46 Å) and four longer (3.67 Å) Sr–Sn bond lengths. Both Sr–Bi bond lengths are 3.36 Å. Sn is bonded in a 5-coordinate geometry to five Sr and three equivalent Sn atoms. There are two shorter (3.03 Å) and one longer (3.20 Å) Sn–Sn bond lengths. Bi is bonded to six Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.