U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2Nb3Ge4 by Materials Project
Abstract
U2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.87–3.03 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of Nb–Ge bond distances ranging from 2.74–2.82 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.64–2.80 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Nb, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.77 Å.
- Publication Date:
- Other Number(s):
- mp-21813
- 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; Ge-Nb-U; U2Nb3Ge4; crystal structure
- OSTI Identifier:
- 1197176
- DOI:
- https://doi.org/10.17188/1197176
Citation Formats
Materials Data on U2Nb3Ge4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197176.
Materials Data on U2Nb3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1197176
2020.
"Materials Data on U2Nb3Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1197176. https://www.osti.gov/servlets/purl/1197176. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197176,
title = {Materials Data on U2Nb3Ge4 by Materials Project},
abstractNote = {U2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.87–3.03 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 47–53°. There are a spread of Nb–Ge bond distances ranging from 2.74–2.82 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.64–2.80 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Nb, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Nb, and one Ge atom. The Ge–Ge bond length is 2.77 Å.},
doi = {10.17188/1197176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}