Materials Data on Ti5P3 by Materials Project
Ti5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.86 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.65 Å. In the third Ti site, Ti is bonded to five P atoms to form distorted edge-sharing TiP5 square pyramids. There are three shorter (2.55 Å) and two longer (2.58 Å) Ti–P bond lengths. In the fourth Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 7-coordinate geometry to seven Ti atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ti atoms.