Materials Data on Th(PRu)2 by Materials Project

Abstract

ThRu2P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 1-coordinate geometry to five Ru and eight P atoms. There are a spread of Th–Ru bond distances ranging from 3.11–3.26 Å. There are a spread of Th–P bond distances ranging from 2.89–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Th and four P atoms. There are a spread of Ru–P bond distances ranging from 2.24–2.46 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three equivalent Th and five P atoms. There are a spread of Ru–P bond distances ranging from 2.36–2.58 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to four equivalent Th, four Ru, and two equivalent P atoms. Both P–P bond lengths are 2.61 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Th and five Ru atoms.