U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La3(VN3)2 by Materials Project
Abstract
La3V2N6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All La–N bond lengths are 2.62 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.58–2.78 Å. V+4.50+ is bonded to five N3- atoms to form corner-sharing VN5 square pyramids. There is one shorter (1.81 Å) and four longer (1.98 Å) V–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four La3+ and two equivalent V+4.50+ atoms to form a mixture of distorted edge, face, and corner-sharing NLa4V2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the second N3- site, N3- is bonded in a 6-coordinate geometry to five equivalent La3+ and one V+4.50+ atom.
- Publication Date:
- Other Number(s):
- mp-31054
- 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; La-N-V; La3(VN3)2; crystal structure
- OSTI Identifier:
- 1205381
- DOI:
- https://doi.org/10.17188/1205381
Citation Formats
Materials Data on La3(VN3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205381.
Materials Data on La3(VN3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1205381
2020.
"Materials Data on La3(VN3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1205381. https://www.osti.gov/servlets/purl/1205381. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205381,
title = {Materials Data on La3(VN3)2 by Materials Project},
abstractNote = {La3V2N6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All La–N bond lengths are 2.62 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.58–2.78 Å. V+4.50+ is bonded to five N3- atoms to form corner-sharing VN5 square pyramids. There is one shorter (1.81 Å) and four longer (1.98 Å) V–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four La3+ and two equivalent V+4.50+ atoms to form a mixture of distorted edge, face, and corner-sharing NLa4V2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the second N3- site, N3- is bonded in a 6-coordinate geometry to five equivalent La3+ and one V+4.50+ atom.},
doi = {10.17188/1205381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}