Materials Data on SnPb3 by Materials Project

Dataset · Wed Jul 22 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1667169· OSTI ID:1667169

Pb3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to eight equivalent Pb and four equivalent Sn atoms to form distorted PbSn4Pb8 cuboctahedra that share corners with four equivalent SnPb12 cuboctahedra, corners with fourteen equivalent PbSn4Pb8 cuboctahedra, edges with six equivalent SnPb12 cuboctahedra, edges with twelve equivalent PbSn4Pb8 cuboctahedra, faces with four equivalent SnPb12 cuboctahedra, and faces with sixteen equivalent PbSn4Pb8 cuboctahedra. There are two shorter (3.44 Å) and six longer (3.55 Å) Pb–Pb bond lengths. There are two shorter (3.50 Å) and two longer (3.51 Å) Pb–Sn bond lengths. Sn is bonded to twelve equivalent Pb atoms to form SnPb12 cuboctahedra that share corners with six equivalent SnPb12 cuboctahedra, corners with twelve equivalent PbSn4Pb8 cuboctahedra, edges with eighteen equivalent PbSn4Pb8 cuboctahedra, faces with eight equivalent SnPb12 cuboctahedra, and faces with twelve equivalent PbSn4Pb8 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: 1667169
• Report Number(s): mp-1187118
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pb-Sn
SnPb3
crystal structure