Materials Data on Rh3Pb by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314465· OSTI ID:1314465

Rh3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with twelve equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.90 Å) Rh–Rh bond lengths. All Rh–Pb bond lengths are 2.82 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with four equivalent RhRh8Pb4 cuboctahedra, corners with eight equivalent PbRh12 cuboctahedra, edges with twenty-four RhRh8Pb4 cuboctahedra, faces with six equivalent PbRh12 cuboctahedra, and faces with twelve RhRh8Pb4 cuboctahedra. All Rh–Pb bond lengths are 2.90 Å. Pb is bonded to twelve Rh atoms to form PbRh12 cuboctahedra that share corners with four equivalent PbRh12 cuboctahedra, corners with eight equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen equivalent RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 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: 1314465
• Report Number(s): mp-974368
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pb-Rh
Rh3Pb
crystal structure