U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg5Pb by Materials Project
Abstract
Mg5Pb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with fourteen MgMg12 cuboctahedra, edges with eight equivalent PbMg10 cuboctahedra, faces with two equivalent PbMg10 cuboctahedra, and faces with four equivalent MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Pb atoms. All Mg–Pb bond lengths are 3.25 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to four equivalent Mg and two equivalent Pb atoms to form distorted MgMg4Pb2 cuboctahedra that share corners with twelve MgMg12 cuboctahedra, edges with two equivalent MgMg4Pb2 cuboctahedra, and faces with two equivalent MgMg4Pb2 cuboctahedra. Both Mg–Pb bond lengths are 3.30 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Pb atoms. Bothmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185825
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mg5Pb; Mg-Pb
- OSTI Identifier:
- 1706783
- DOI:
- https://doi.org/10.17188/1706783
Citation Formats
The Materials Project. Materials Data on Mg5Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706783.
The Materials Project. Materials Data on Mg5Pb by Materials Project. United States. doi:https://doi.org/10.17188/1706783
The Materials Project. 2020.
"Materials Data on Mg5Pb by Materials Project". United States. doi:https://doi.org/10.17188/1706783. https://www.osti.gov/servlets/purl/1706783. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706783,
title = {Materials Data on Mg5Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Pb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with fourteen MgMg12 cuboctahedra, edges with eight equivalent PbMg10 cuboctahedra, faces with two equivalent PbMg10 cuboctahedra, and faces with four equivalent MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Pb atoms. All Mg–Pb bond lengths are 3.25 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to four equivalent Mg and two equivalent Pb atoms to form distorted MgMg4Pb2 cuboctahedra that share corners with twelve MgMg12 cuboctahedra, edges with two equivalent MgMg4Pb2 cuboctahedra, and faces with two equivalent MgMg4Pb2 cuboctahedra. Both Mg–Pb bond lengths are 3.30 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Pb atoms. Both Mg–Pb bond lengths are 3.25 Å. Pb is bonded to ten Mg atoms to form distorted PbMg10 cuboctahedra that share corners with four equivalent PbMg10 cuboctahedra, edges with eight equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with four equivalent PbMg10 cuboctahedra.},
doi = {10.17188/1706783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}