Materials Data on Ti8Bi9 by Materials Project

Abstract

Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.