U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaWN3 by Materials Project
Abstract
LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-989630
- 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; LaWN3; La-N-W
- OSTI Identifier:
- 1316923
- DOI:
- https://doi.org/10.17188/1316923
Citation Formats
The Materials Project. Materials Data on LaWN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316923.
The Materials Project. Materials Data on LaWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316923
The Materials Project. 2020.
"Materials Data on LaWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316923. https://www.osti.gov/servlets/purl/1316923. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1316923,
title = {Materials Data on LaWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.},
doi = {10.17188/1316923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}