U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3Nb by Materials Project
Abstract
Rb3Nb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent Nb atoms. All Rb–Rb bond lengths are 4.23 Å. All Rb–Nb bond lengths are 4.23 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Nb atoms to form RbRb8Nb4 cuboctahedra that share corners with four equivalent RbRb8Nb4 cuboctahedra, corners with eight equivalent NbRb12 cuboctahedra, edges with eight equivalent RbRb8Nb4 cuboctahedra, faces with four equivalent RbRb8Nb4 cuboctahedra, and faces with six equivalent NbRb12 cuboctahedra. All Rb–Nb bond lengths are 4.44 Å. Nb is bonded to twelve Rb atoms to form NbRb12 cuboctahedra that share corners with four equivalent NbRb12 cuboctahedra, corners with eight equivalent RbRb8Nb4 cuboctahedra, edges with eight equivalent NbRb12 cuboctahedra, faces with four equivalent NbRb12 cuboctahedra, and faces with six equivalent RbRb8Nb4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-974869
- 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; Nb-Rb; Rb3Nb; crystal structure
- OSTI Identifier:
- 1314665
- DOI:
- https://doi.org/10.17188/1314665
Citation Formats
Materials Data on Rb3Nb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314665.
Materials Data on Rb3Nb by Materials Project. United States. doi:https://doi.org/10.17188/1314665
2020.
"Materials Data on Rb3Nb by Materials Project". United States. doi:https://doi.org/10.17188/1314665. https://www.osti.gov/servlets/purl/1314665. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1314665,
title = {Materials Data on Rb3Nb by Materials Project},
abstractNote = {Rb3Nb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four equivalent Rb and four equivalent Nb atoms. All Rb–Rb bond lengths are 4.23 Å. All Rb–Nb bond lengths are 4.23 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Nb atoms to form RbRb8Nb4 cuboctahedra that share corners with four equivalent RbRb8Nb4 cuboctahedra, corners with eight equivalent NbRb12 cuboctahedra, edges with eight equivalent RbRb8Nb4 cuboctahedra, faces with four equivalent RbRb8Nb4 cuboctahedra, and faces with six equivalent NbRb12 cuboctahedra. All Rb–Nb bond lengths are 4.44 Å. Nb is bonded to twelve Rb atoms to form NbRb12 cuboctahedra that share corners with four equivalent NbRb12 cuboctahedra, corners with eight equivalent RbRb8Nb4 cuboctahedra, edges with eight equivalent NbRb12 cuboctahedra, faces with four equivalent NbRb12 cuboctahedra, and faces with six equivalent RbRb8Nb4 cuboctahedra.},
doi = {10.17188/1314665},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}