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Materials Data on Mg2Pb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1731650· OSTI ID:1731650
Mg2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.05–3.37 Å. In the second Mg site, Mg is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing MgPb4 tetrahedra. There are a spread of Mg–Pb bond distances ranging from 2.89–3.04 Å. Pb is bonded in a 9-coordinate geometry to nine Mg 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:
1731650
Report Number(s):
mp-1102915
Country of Publication:
United States
Language:
English

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