Materials Data on Ir3Pb by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1740748· OSTI ID:1740748

Ir3Pb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Ir and four equivalent Pb atoms to form IrIr8Pb4 cuboctahedra that share corners with twelve equivalent IrIr8Pb4 cuboctahedra, edges with eight equivalent PbIr12 cuboctahedra, edges with sixteen IrIr8Pb4 cuboctahedra, faces with four equivalent PbIr12 cuboctahedra, and faces with fourteen IrIr8Pb4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ir–Ir bond lengths. All Ir–Pb bond lengths are 2.84 Å. In the second Ir site, Ir is bonded to eight equivalent Ir and four equivalent Pb atoms to form IrIr8Pb4 cuboctahedra that share corners with four equivalent IrIr8Pb4 cuboctahedra, corners with eight equivalent PbIr12 cuboctahedra, edges with twenty-four IrIr8Pb4 cuboctahedra, faces with six equivalent PbIr12 cuboctahedra, and faces with twelve IrIr8Pb4 cuboctahedra. All Ir–Pb bond lengths are 2.91 Å. Pb is bonded to twelve Ir atoms to form PbIr12 cuboctahedra that share corners with four equivalent PbIr12 cuboctahedra, corners with eight equivalent IrIr8Pb4 cuboctahedra, edges with eight equivalent PbIr12 cuboctahedra, edges with sixteen equivalent IrIr8Pb4 cuboctahedra, faces with four equivalent PbIr12 cuboctahedra, and faces with fourteen IrIr8Pb4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1740748
• Report Number(s): mp-1184797
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ir-Pb
Ir3Pb
crystal structure