U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2WN2 by Materials Project
Abstract
WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.
- Publication Date:
- Other Number(s):
- mvc-13731
- 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-W-Zn; Zn2WN2; crystal structure
- OSTI Identifier:
- 1318964
- DOI:
- https://doi.org/10.17188/1318964
Citation Formats
Materials Data on Zn2WN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318964.
Materials Data on Zn2WN2 by Materials Project. United States. doi:https://doi.org/10.17188/1318964
2020.
"Materials Data on Zn2WN2 by Materials Project". United States. doi:https://doi.org/10.17188/1318964. https://www.osti.gov/servlets/purl/1318964. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318964,
title = {Materials Data on Zn2WN2 by Materials Project},
abstractNote = {WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.},
doi = {10.17188/1318964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}