Materials Data on Sr3CrN4 by Materials Project
Abstract
Sr3CrN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.51–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.59–3.04 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.55–2.92 Å. Cr6+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Cr–N bond distances ranging from 1.74–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one Cr6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the fourth N3- site, N3- is bonded in a 6-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-7214
- 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; Sr3CrN4; Cr-N-Sr
- OSTI Identifier:
- 1287363
- DOI:
- https://doi.org/10.17188/1287363
Citation Formats
The Materials Project. Materials Data on Sr3CrN4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287363.
The Materials Project. Materials Data on Sr3CrN4 by Materials Project. United States. doi:https://doi.org/10.17188/1287363
The Materials Project. 2020.
"Materials Data on Sr3CrN4 by Materials Project". United States. doi:https://doi.org/10.17188/1287363. https://www.osti.gov/servlets/purl/1287363. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287363,
title = {Materials Data on Sr3CrN4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3CrN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.51–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.59–3.04 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.55–2.92 Å. Cr6+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Cr–N bond distances ranging from 1.74–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one Cr6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to five Sr2+ and one Cr6+ atom.},
doi = {10.17188/1287363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}