U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2B4Ru5 by Materials Project
Abstract
Mg2Ru5B4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Bothmore »
- Publication Date:
- Other Number(s):
- mp-541066
- 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; B-Mg-Ru; Mg2B4Ru5; crystal structure
- OSTI Identifier:
- 1264937
- DOI:
- https://doi.org/10.17188/1264937
Citation Formats
Materials Data on Mg2B4Ru5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264937.
Materials Data on Mg2B4Ru5 by Materials Project. United States. doi:https://doi.org/10.17188/1264937
2020.
"Materials Data on Mg2B4Ru5 by Materials Project". United States. doi:https://doi.org/10.17188/1264937. https://www.osti.gov/servlets/purl/1264937. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1264937,
title = {Materials Data on Mg2B4Ru5 by Materials Project},
abstractNote = {Mg2Ru5B4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg, ten Ru, and five B atoms. Both Mg–Mg bond lengths are 2.96 Å. There are a spread of Mg–Ru bond distances ranging from 2.61–3.22 Å. There are a spread of Mg–B bond distances ranging from 2.63–2.89 Å. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a distorted body-centered cubic geometry to four Mg and four B atoms. There are two shorter (2.18 Å) and two longer (2.21 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four Mg and four B atoms. All Ru–B bond lengths are 2.19 Å. In the third Ru site, Ru is bonded in a 6-coordinate geometry to four Mg and six B atoms. There are a spread of Ru–B bond distances ranging from 2.25–2.29 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Mg and six Ru atoms. Both B–Ru bond lengths are 2.21 Å. In the second B site, B is bonded in a 6-coordinate geometry to three Mg and six Ru atoms. There are two shorter (2.21 Å) and two longer (2.29 Å) B–Ru bond lengths. In the third B site, B is bonded in a 6-coordinate geometry to three Mg and six Ru atoms. There are two shorter (2.19 Å) and two longer (2.29 Å) B–Ru bond lengths. In the fourth B site, B is bonded in a 9-coordinate geometry to two Mg, six Ru, and one B atom. The B–B bond length is 1.91 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to two Mg, six Ru, and one B atom. There are a spread of B–Ru bond distances ranging from 2.18–2.26 Å.},
doi = {10.17188/1264937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}