Materials Data on SrCuN by Materials Project
Abstract
SrCuN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.63–2.67 Å. In the second Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.66–2.71 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.86 Å) and one longer (1.90 Å) Cu–N bond length. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Sr2+ and two Cu1+ atoms to form a mixture of edge and corner-sharing NSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second N3- site, N3- is bonded to four Sr2+ and two equivalent Cu1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-21609
- 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; SrCuN; Cu-N-Sr
- OSTI Identifier:
- 1197057
- DOI:
- https://doi.org/10.17188/1197057
Citation Formats
The Materials Project. Materials Data on SrCuN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197057.
The Materials Project. Materials Data on SrCuN by Materials Project. United States. doi:https://doi.org/10.17188/1197057
The Materials Project. 2020.
"Materials Data on SrCuN by Materials Project". United States. doi:https://doi.org/10.17188/1197057. https://www.osti.gov/servlets/purl/1197057. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1197057,
title = {Materials Data on SrCuN by Materials Project},
author = {The Materials Project},
abstractNote = {SrCuN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.63–2.67 Å. In the second Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.66–2.71 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.86 Å) and one longer (1.90 Å) Cu–N bond length. In the second Cu1+ site, Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Sr2+ and two Cu1+ atoms to form a mixture of edge and corner-sharing NSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second N3- site, N3- is bonded to four Sr2+ and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing NSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 8–66°.},
doi = {10.17188/1197057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}