U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg6ZnW by Materials Project
Abstract
Mg6WZn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, two equivalent W, and one Zn atom. There are three shorter (3.04 Å) and one longer (3.07 Å) Mg–Mg bond lengths. Both Mg–W bond lengths are 2.94 Å. The Mg–Zn bond length is 2.78 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent MgMg10Zn2 cuboctahedra, faces with two equivalent MgMg10Zn2 cuboctahedra, and faces with six equivalent WMg10Zn2 cuboctahedra. There are two shorter (3.00 Å) and four longer (3.01 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.07 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent W, and two equivalent Zn atoms. There are a spread of Mg–Mg bond distances ranging from 2.98–3.14 Å. There are one shorter (3.00 Å) and one longer (3.10 Å) Mg–W bond lengths. Both Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a distorted linear geometrymore »
- Publication Date:
- Other Number(s):
- mp-1022596
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-W-Zn; Mg6ZnW; crystal structure
- OSTI Identifier:
- 1672056
- DOI:
- https://doi.org/10.17188/1672056
Citation Formats
Materials Data on Mg6ZnW by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1672056.
Materials Data on Mg6ZnW by Materials Project. United States. doi:https://doi.org/10.17188/1672056
2018.
"Materials Data on Mg6ZnW by Materials Project". United States. doi:https://doi.org/10.17188/1672056. https://www.osti.gov/servlets/purl/1672056. Pub date:Wed Oct 17 00:00:00 EDT 2018
@article{osti_1672056,
title = {Materials Data on Mg6ZnW by Materials Project},
abstractNote = {Mg6WZn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, two equivalent W, and one Zn atom. There are three shorter (3.04 Å) and one longer (3.07 Å) Mg–Mg bond lengths. Both Mg–W bond lengths are 2.94 Å. The Mg–Zn bond length is 2.78 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent MgMg10Zn2 cuboctahedra, faces with two equivalent MgMg10Zn2 cuboctahedra, and faces with six equivalent WMg10Zn2 cuboctahedra. There are two shorter (3.00 Å) and four longer (3.01 Å) Mg–Mg bond lengths. Both Mg–Zn bond lengths are 3.07 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent W, and two equivalent Zn atoms. There are a spread of Mg–Mg bond distances ranging from 2.98–3.14 Å. There are one shorter (3.00 Å) and one longer (3.10 Å) Mg–W bond lengths. Both Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent W atoms. Both Mg–W bond lengths are 3.06 Å. W is bonded to ten Mg and two equivalent Zn atoms to form WMg10Zn2 cuboctahedra that share corners with six equivalent WMg10Zn2 cuboctahedra, faces with two equivalent WMg10Zn2 cuboctahedra, and faces with six equivalent MgMg10Zn2 cuboctahedra. Both W–Zn bond lengths are 2.87 Å. Zn is bonded in a 12-coordinate geometry to eight Mg and two equivalent W atoms.},
doi = {10.17188/1672056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {10}
}