Materials Data on Sr2LiReN4 by Materials Project
Abstract
LiSr2ReN4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with four equivalent ReN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.01–2.33 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–3.08 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.69–3.05 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra. There are a spread of Re–N bond distances ranging from 1.83–1.86 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to one Li1+, four Sr2+, and one Re7+ atom to form a mixture of distorted edge, face, and corner-sharing NSr4LiRe octahedra. The corner-sharing octahedra tilt angles range from 62–73°. In the second N3- site, N3- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Re7+ atom.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-10556
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Sr2LiReN4; Li-N-Re-Sr
- OSTI Identifier:
- 1187198
- DOI:
- https://doi.org/10.17188/1187198
Citation Formats
The Materials Project. Materials Data on Sr2LiReN4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187198.
The Materials Project. Materials Data on Sr2LiReN4 by Materials Project. United States. doi:https://doi.org/10.17188/1187198
The Materials Project. 2020.
"Materials Data on Sr2LiReN4 by Materials Project". United States. doi:https://doi.org/10.17188/1187198. https://www.osti.gov/servlets/purl/1187198. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187198,
title = {Materials Data on Sr2LiReN4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSr2ReN4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with four equivalent ReN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.01–2.33 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–3.08 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.69–3.05 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra. There are a spread of Re–N bond distances ranging from 1.83–1.86 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to one Li1+, four Sr2+, and one Re7+ atom to form a mixture of distorted edge, face, and corner-sharing NSr4LiRe octahedra. The corner-sharing octahedra tilt angles range from 62–73°. In the second N3- site, N3- is bonded in a 6-coordinate geometry to one Li1+, four Sr2+, and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one Li1+, four Sr2+, and one Re7+ atom.},
doi = {10.17188/1187198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}