skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1019967
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaSi3N5; La-N-Si
OSTI Identifier:
1350551
DOI:
10.17188/1350551

Citation Formats

The Materials Project. Materials Data on LaSi3N5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350551.
The Materials Project. Materials Data on LaSi3N5 by Materials Project. United States. doi:10.17188/1350551.
The Materials Project. 2020. "Materials Data on LaSi3N5 by Materials Project". United States. doi:10.17188/1350551. https://www.osti.gov/servlets/purl/1350551. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1350551,
title = {Materials Data on LaSi3N5 by Materials Project},
author = {The 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}
}

Dataset:

Save / Share: