U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YWN3 by Materials Project
Abstract
YWN3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Y–N bond distances ranging from 2.33–2.69 Å. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.40 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Y3+ and one W6+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Y3+ and two equivalent W6+ atoms. In the third N3- site, N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form distorted corner-sharing NY2W2 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-989407
- 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; YWN3; N-W-Y
- OSTI Identifier:
- 1316799
- DOI:
- https://doi.org/10.17188/1316799
Citation Formats
The Materials Project. Materials Data on YWN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316799.
The Materials Project. Materials Data on YWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316799
The Materials Project. 2020.
"Materials Data on YWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316799. https://www.osti.gov/servlets/purl/1316799. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316799,
title = {Materials Data on YWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {YWN3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Y–N bond distances ranging from 2.33–2.69 Å. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.40 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Y3+ and one W6+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Y3+ and two equivalent W6+ atoms. In the third N3- site, N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form distorted corner-sharing NY2W2 trigonal pyramids.},
doi = {10.17188/1316799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}