U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg6ZnC by Materials Project
Abstract
Mg6ZnC 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 an L-shaped geometry to one Zn and two equivalent C atoms. The Mg–Zn bond length is 3.16 Å. Both Mg–C bond lengths are 2.47 Å. In the second Mg site, Mg is bonded in a water-like geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Zn and one C atom. Both Mg–Zn bond lengths are 2.67 Å. The Mg–C bond length is 2.62 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.82 Å. Zn is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.
- Publication Date:
- Other Number(s):
- mp-1022576
- 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; C-Mg-Zn; Mg6ZnC; crystal structure
- OSTI Identifier:
- 1651810
- DOI:
- https://doi.org/10.17188/1651810
Citation Formats
Materials Data on Mg6ZnC by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1651810.
Materials Data on Mg6ZnC by Materials Project. United States. doi:https://doi.org/10.17188/1651810
2018.
"Materials Data on Mg6ZnC by Materials Project". United States. doi:https://doi.org/10.17188/1651810. https://www.osti.gov/servlets/purl/1651810. Pub date:Thu May 17 04:00:00 UTC 2018
@article{osti_1651810,
title = {Materials Data on Mg6ZnC by Materials Project},
abstractNote = {Mg6ZnC 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 an L-shaped geometry to one Zn and two equivalent C atoms. The Mg–Zn bond length is 3.16 Å. Both Mg–C bond lengths are 2.47 Å. In the second Mg site, Mg is bonded in a water-like geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Zn and one C atom. Both Mg–Zn bond lengths are 2.67 Å. The Mg–C bond length is 2.62 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.82 Å. Zn is bonded in a 8-coordinate geometry to eight Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1651810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}