skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MgPb5 by Materials Project

Dataset ·
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:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1315475
Report Number(s):
mp-976969
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Y11Mg76 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1315475

Materials Data on Y19Mg97 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1315475

Materials Data on Gd8MgAlNi2 by Materials Project
Dataset · Fri Jun 05 00:00:00 EDT 2020 · OSTI ID:1315475