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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Bi2Ir by Materials Project

IrBi2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded to six Bi atoms to form a mixture of corner and edge-sharing IrBi6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Ir–Bi bond distances ranging from 2.73–2.81 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to three equivalent Ir atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi4Ir by Materials Project

IrBi4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.85–2.89 Å. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight Bi atoms. There are four shorter (2.88 Å) and four longer (2.90 Å) Ir–Bi bond lengths. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted water-like geometry to two Ir atoms. In the second Bi site, Bi is bonded in a distorted water-like geometry to two Ir atoms. In the third Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Ir atoms. In the fourth Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗