U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaSi3N5 by Materials Project
Abstract
LaSi3N5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.44–3.17 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.82 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.78 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.79 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the fourth N3- site, N3-more »
- Publication Date:
- Other Number(s):
- mp-1019967
- 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-Si; LaSi3N5; crystal structure
- OSTI Identifier:
- 1350551
- DOI:
- https://doi.org/10.17188/1350551
Citation Formats
Materials Data on LaSi3N5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350551.
Materials Data on LaSi3N5 by Materials Project. United States. doi:https://doi.org/10.17188/1350551
2020.
"Materials Data on LaSi3N5 by Materials Project". United States. doi:https://doi.org/10.17188/1350551. https://www.osti.gov/servlets/purl/1350551. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1350551,
title = {Materials Data on LaSi3N5 by Materials Project},
abstractNote = {LaSi3N5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.44–3.17 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.82 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.70–1.78 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.79 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and three Si4+ atoms. In the fifth N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one La3+ and three Si4+ atoms.},
doi = {10.17188/1350551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}