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Title: Materials Data on Mg5Pb by Materials Project

Abstract

Mg5Pb crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg5Pb sheet oriented in the (0, 0, 1) direction. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the second Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to one Pb atom. The Mg–Pb bond length is 3.25 Å. In the fourth Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.26 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Pb atoms. There are one shorter (3.18 Å) and two longer (3.24 Å) Mg–Pb bond lengths. Pb is bonded in a 12-coordinate geometry to ten Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1185831
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:
1758415
DOI:
https://doi.org/10.17188/1758415

Citation Formats

The Materials Project. Materials Data on Mg5Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758415.
The Materials Project. Materials Data on Mg5Pb by Materials Project. United States. doi:https://doi.org/10.17188/1758415
The Materials Project. 2020. "Materials Data on Mg5Pb by Materials Project". United States. doi:https://doi.org/10.17188/1758415. https://www.osti.gov/servlets/purl/1758415. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758415,
title = {Materials Data on Mg5Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Pb crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg5Pb sheet oriented in the (0, 0, 1) direction. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the second Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to one Pb atom. The Mg–Pb bond length is 3.25 Å. In the fourth Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.26 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Pb atoms. There are one shorter (3.18 Å) and two longer (3.24 Å) Mg–Pb bond lengths. Pb is bonded in a 12-coordinate geometry to ten Mg atoms.},
doi = {10.17188/1758415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}