Materials Data on MgPb5 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315475· OSTI ID:1315475

MgPb5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Pb atoms to form a mixture of corner and edge-sharing MgPb12 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.54 Å) Mg–Pb bond lengths. There are five inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and ten Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.45–3.56 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and ten Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.45–3.56 Å. In the third Pb site, Pb is bonded in a distorted trigonal planar geometry to three equivalent Mg and six Pb atoms. The Pb–Pb bond length is 3.53 Å. In the fourth Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and ten Pb atoms. Both Pb–Mg bond lengths are 3.54 Å. There are a spread of Pb–Pb bond distances ranging from 3.45–3.56 Å. In the fifth Pb site, Pb is bonded in a 12-coordinate geometry to two equivalent Mg and ten Pb atoms.

• 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: 1315475
• Report Number(s): mp-976969
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Pb
MgPb5
crystal structure