U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re3N by Materials Project
Abstract
Re3N crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent Re and three equivalent N atoms. All Re–Re bond lengths are 2.72 Å. All Re–N bond lengths are 2.17 Å. In the second Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent NRe6 pentagonal pyramids, edges with six equivalent ReRe12 cuboctahedra, faces with six equivalent ReRe12 cuboctahedra, and faces with two equivalent NRe6 pentagonal pyramids. All Re–Re bond lengths are 2.84 Å. N is bonded to six equivalent Re atoms to form distorted NRe6 pentagonal pyramids that share corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent NRe6 pentagonal pyramids, and faces with two equivalent ReRe12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-974435
- 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; N-Re; Re3N; crystal structure
- OSTI Identifier:
- 1314495
- DOI:
- https://doi.org/10.17188/1314495
Citation Formats
Materials Data on Re3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314495.
Materials Data on Re3N by Materials Project. United States. doi:https://doi.org/10.17188/1314495
2020.
"Materials Data on Re3N by Materials Project". United States. doi:https://doi.org/10.17188/1314495. https://www.osti.gov/servlets/purl/1314495. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1314495,
title = {Materials Data on Re3N by Materials Project},
abstractNote = {Re3N crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent Re and three equivalent N atoms. All Re–Re bond lengths are 2.72 Å. All Re–N bond lengths are 2.17 Å. In the second Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent NRe6 pentagonal pyramids, edges with six equivalent ReRe12 cuboctahedra, faces with six equivalent ReRe12 cuboctahedra, and faces with two equivalent NRe6 pentagonal pyramids. All Re–Re bond lengths are 2.84 Å. N is bonded to six equivalent Re atoms to form distorted NRe6 pentagonal pyramids that share corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent NRe6 pentagonal pyramids, and faces with two equivalent ReRe12 cuboctahedra.},
doi = {10.17188/1314495},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}