U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSb2 by Materials Project
Abstract
MgSb2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 2.91–3.50 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.12–3.36 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 3-coordinate geometry to three Mg2+ atoms. In the second Sb1- site, Sb1- is bonded in a 1-coordinate geometry to five Mg2+ and three Sb1- atoms. There are one shorter (2.98 Å) and two longer (3.09 Å) Sb–Sb bond lengths. In the third Sb1- site, Sb1- is bonded in a 1-coordinate geometry to four Mg2+ and two equivalent Sb1- atoms. In the fourth Sb1- site, Sb1- is bonded in a 4-coordinate geometry to four Mg2+ and one Sb1- atom.
- Publication Date:
- Other Number(s):
- mp-1094556
- 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-Sb; MgSb2; crystal structure
- OSTI Identifier:
- 1673009
- DOI:
- https://doi.org/10.17188/1673009
Citation Formats
Materials Data on MgSb2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1673009.
Materials Data on MgSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1673009
2020.
"Materials Data on MgSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1673009. https://www.osti.gov/servlets/purl/1673009. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1673009,
title = {Materials Data on MgSb2 by Materials Project},
abstractNote = {MgSb2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 2.91–3.50 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.12–3.36 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 3-coordinate geometry to three Mg2+ atoms. In the second Sb1- site, Sb1- is bonded in a 1-coordinate geometry to five Mg2+ and three Sb1- atoms. There are one shorter (2.98 Å) and two longer (3.09 Å) Sb–Sb bond lengths. In the third Sb1- site, Sb1- is bonded in a 1-coordinate geometry to four Mg2+ and two equivalent Sb1- atoms. In the fourth Sb1- site, Sb1- is bonded in a 4-coordinate geometry to four Mg2+ and one Sb1- atom.},
doi = {10.17188/1673009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}