U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb(FeGe)6 by Materials Project
Abstract
Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb is bonded to eight Ge atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. There are two shorter (2.70 Å) and six longer (2.88 Å) Nb–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Fe and six Ge atoms. All Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.47 Å) and two longer (2.59 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Nb, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Nb and six equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-19887
- 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; Fe-Ge-Nb; Nb(FeGe)6; crystal structure
- OSTI Identifier:
- 1195075
- DOI:
- https://doi.org/10.17188/1195075
Citation Formats
Materials Data on Nb(FeGe)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195075.
Materials Data on Nb(FeGe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1195075
2020.
"Materials Data on Nb(FeGe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1195075. https://www.osti.gov/servlets/purl/1195075. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195075,
title = {Materials Data on Nb(FeGe)6 by Materials Project},
abstractNote = {Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb is bonded to eight Ge atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. There are two shorter (2.70 Å) and six longer (2.88 Å) Nb–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Fe and six Ge atoms. All Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.47 Å) and two longer (2.59 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Nb, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Nb and six equivalent Fe atoms.},
doi = {10.17188/1195075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}