U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc6Ga16Ru7 by Materials Project
Abstract
Sc6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Sc–Ru bond lengths are 3.13 Å. There are four shorter (2.85 Å) and four longer (2.91 Å) Sc–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RuSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.70 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sc and four Ru atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ru atoms.
- Publication Date:
- Other Number(s):
- mp-979260
- 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; Ga-Ru-Sc; Sc6Ga16Ru7; crystal structure
- OSTI Identifier:
- 1316100
- DOI:
- https://doi.org/10.17188/1316100
Citation Formats
Materials Data on Sc6Ga16Ru7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316100.
Materials Data on Sc6Ga16Ru7 by Materials Project. United States. doi:https://doi.org/10.17188/1316100
2020.
"Materials Data on Sc6Ga16Ru7 by Materials Project". United States. doi:https://doi.org/10.17188/1316100. https://www.osti.gov/servlets/purl/1316100. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1316100,
title = {Materials Data on Sc6Ga16Ru7 by Materials Project},
abstractNote = {Sc6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Sc–Ru bond lengths are 3.13 Å. There are four shorter (2.85 Å) and four longer (2.91 Å) Sc–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RuSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.70 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sc and four Ru atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ru atoms.},
doi = {10.17188/1316100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}