U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc(VGa2)2 by Materials Project
Abstract
Sc(VGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.76 Å) and eight longer (3.19 Å) Sc–Ga bond lengths. V is bonded in a 10-coordinate geometry to two equivalent V and eight Ga atoms. Both V–V bond lengths are 2.60 Å. All V–Ga bond lengths are 2.68 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. There are two shorter (2.60 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. Both Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. There are one shorter (2.60 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Gamore »
- Publication Date:
- Other Number(s):
- mp-1025365
- 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-Sc-V; Sc(VGa2)2; crystal structure
- OSTI Identifier:
- 1355549
- DOI:
- https://doi.org/10.17188/1355549
Citation Formats
Materials Data on Sc(VGa2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355549.
Materials Data on Sc(VGa2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355549
2020.
"Materials Data on Sc(VGa2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355549. https://www.osti.gov/servlets/purl/1355549. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1355549,
title = {Materials Data on Sc(VGa2)2 by Materials Project},
abstractNote = {Sc(VGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.76 Å) and eight longer (3.19 Å) Sc–Ga bond lengths. V is bonded in a 10-coordinate geometry to two equivalent V and eight Ga atoms. Both V–V bond lengths are 2.60 Å. All V–Ga bond lengths are 2.68 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. There are two shorter (2.60 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. Both Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. There are one shorter (2.60 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. There are two shorter (2.60 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sc, four equivalent V, and four Ga atoms. Both Ga–Ga bond lengths are 2.76 Å.},
doi = {10.17188/1355549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}