U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2PbW by Materials Project
Abstract
Mg2WPb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent W atoms to form distorted MgW4 tetrahedra that share corners with four equivalent PbMg4W4 tetrahedra, corners with twenty-four MgW4 tetrahedra, edges with six equivalent PbMg4W4 tetrahedra, and faces with four equivalent MgPb4W6 tetrahedra. All Mg–W bond lengths are 2.98 Å. In the second Mg site, Mg is bonded to six equivalent W and four equivalent Pb atoms to form distorted MgPb4W6 tetrahedra that share corners with four equivalent WMg10Pb4 tetrahedra, corners with twelve equivalent PbMg4W4 tetrahedra, corners with eighteen MgW4 tetrahedra, edges with six equivalent WMg10Pb4 tetrahedra, faces with four equivalent PbMg4W4 tetrahedra, and faces with sixteen MgPb4W6 tetrahedra. All Mg–W bond lengths are 3.45 Å. All Mg–Pb bond lengths are 2.98 Å. W is bonded to ten Mg and four equivalent Pb atoms to form distorted WMg10Pb4 tetrahedra that share corners with four equivalent MgPb4W6 tetrahedra, corners with six equivalent WMg10Pb4 tetrahedra, corners with twelve equivalent PbMg4W4 tetrahedra, edges with six equivalent MgPb4W6 tetrahedra, faces with four equivalent PbMg4W4 tetrahedra, and faces with twelve equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-631637
- 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; Mg2PbW; Mg-Pb-W
- OSTI Identifier:
- 1279279
- DOI:
- https://doi.org/10.17188/1279279
Citation Formats
The Materials Project. Materials Data on Mg2PbW by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279279.
The Materials Project. Materials Data on Mg2PbW by Materials Project. United States. doi:https://doi.org/10.17188/1279279
The Materials Project. 2020.
"Materials Data on Mg2PbW by Materials Project". United States. doi:https://doi.org/10.17188/1279279. https://www.osti.gov/servlets/purl/1279279. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1279279,
title = {Materials Data on Mg2PbW by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2WPb is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent W atoms to form distorted MgW4 tetrahedra that share corners with four equivalent PbMg4W4 tetrahedra, corners with twenty-four MgW4 tetrahedra, edges with six equivalent PbMg4W4 tetrahedra, and faces with four equivalent MgPb4W6 tetrahedra. All Mg–W bond lengths are 2.98 Å. In the second Mg site, Mg is bonded to six equivalent W and four equivalent Pb atoms to form distorted MgPb4W6 tetrahedra that share corners with four equivalent WMg10Pb4 tetrahedra, corners with twelve equivalent PbMg4W4 tetrahedra, corners with eighteen MgW4 tetrahedra, edges with six equivalent WMg10Pb4 tetrahedra, faces with four equivalent PbMg4W4 tetrahedra, and faces with sixteen MgPb4W6 tetrahedra. All Mg–W bond lengths are 3.45 Å. All Mg–Pb bond lengths are 2.98 Å. W is bonded to ten Mg and four equivalent Pb atoms to form distorted WMg10Pb4 tetrahedra that share corners with four equivalent MgPb4W6 tetrahedra, corners with six equivalent WMg10Pb4 tetrahedra, corners with twelve equivalent PbMg4W4 tetrahedra, edges with six equivalent MgPb4W6 tetrahedra, faces with four equivalent PbMg4W4 tetrahedra, and faces with twelve equivalent WMg10Pb4 tetrahedra. All W–Pb bond lengths are 2.98 Å. Pb is bonded to four equivalent Mg and four equivalent W atoms to form distorted PbMg4W4 tetrahedra that share corners with twelve equivalent WMg10Pb4 tetrahedra, corners with sixteen MgW4 tetrahedra, edges with six equivalent MgW4 tetrahedra, edges with twelve equivalent PbMg4W4 tetrahedra, faces with four equivalent MgPb4W6 tetrahedra, and faces with four equivalent WMg10Pb4 tetrahedra.},
doi = {10.17188/1279279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}