U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrWN3 by Materials Project
Abstract
SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67-more »
- Publication Date:
- Other Number(s):
- mp-989625
- 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-Sr-W; SrWN3; crystal structure
- OSTI Identifier:
- 1316918
- DOI:
- https://doi.org/10.17188/1316918
Citation Formats
Materials Data on SrWN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316918.
Materials Data on SrWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316918
2020.
"Materials Data on SrWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316918. https://www.osti.gov/servlets/purl/1316918. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1316918,
title = {Materials Data on SrWN3 by Materials Project},
abstractNote = {SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent W6+, and one N+2.67- atom. In the fifth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to four Sr2+ and one W6+ atom. In the sixth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two W6+ atoms.},
doi = {10.17188/1316918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}