Materials Data on UIr by Materials Project

Abstract

UIr crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to three U and five Ir atoms. There are a spread of U–U bond distances ranging from 2.59–2.78 Å. There are a spread of U–Ir bond distances ranging from 2.65–3.00 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and seven Ir atoms. The U–U bond length is 2.64 Å. There are a spread of U–Ir bond distances ranging from 2.69–3.10 Å. In the third U site, U is bonded in a 5-coordinate geometry to three U and two Ir atoms. The U–U bond length is 2.47 Å. There are one shorter (2.93 Å) and one longer (2.95 Å) U–Ir bond lengths. In the fourth U site, U is bonded in a 3-coordinate geometry to two U and one Ir atom. The U–Ir bond length is 3.12 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 1-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.68–2.95 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.65–2.77 Å. In the third Ir site, Ir is bonded in a 11-coordinate geometry to four U and seven Ir atoms. There are one shorter (2.65 Å) and one longer (2.82 Å) Ir–Ir bond lengths. In the fourth Ir site, Ir is bonded in a 1-coordinate geometry to five U and five Ir atoms.