Materials Data on MgPb2 by Materials Project
MgPb2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.05–3.47 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to five equivalent Mg atoms. In the second Pb site, Pb is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PbMg4 tetrahedra.
- 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:
- 1699940
- Report Number(s):
- mp-1210680
- Country of Publication:
- United States
- Language:
- English
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