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

Title: Materials Data on LaSiAs3 by Materials Project

Abstract

LaSiAs3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine As+2.33- atoms. There are a spread of La–As bond distances ranging from 3.09–3.23 Å. Si4+ is bonded to four As+2.33- atoms to form corner-sharing SiAs4 tetrahedra. There are a spread of Si–As bond distances ranging from 2.33–2.39 Å. There are three inequivalent As+2.33- sites. In the first As+2.33- site, As+2.33- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent As+2.33- atoms. There are two shorter (2.98 Å) and two longer (3.04 Å) As–As bond lengths. In the second As+2.33- site, As+2.33- is bonded in a distorted rectangular see-saw-like geometry to one La3+ and three equivalent Si4+ atoms. In the third As+2.33- site, As+2.33- is bonded to four equivalent La3+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing AsLa4Si trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-648984
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; LaSiAs3; As-La-Si
OSTI Identifier:
1280843
DOI:
10.17188/1280843

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaSiAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280843.
Persson, Kristin, & Project, Materials. Materials Data on LaSiAs3 by Materials Project. United States. doi:10.17188/1280843.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaSiAs3 by Materials Project". United States. doi:10.17188/1280843. https://www.osti.gov/servlets/purl/1280843. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280843,
title = {Materials Data on LaSiAs3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaSiAs3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine As+2.33- atoms. There are a spread of La–As bond distances ranging from 3.09–3.23 Å. Si4+ is bonded to four As+2.33- atoms to form corner-sharing SiAs4 tetrahedra. There are a spread of Si–As bond distances ranging from 2.33–2.39 Å. There are three inequivalent As+2.33- sites. In the first As+2.33- site, As+2.33- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent As+2.33- atoms. There are two shorter (2.98 Å) and two longer (3.04 Å) As–As bond lengths. In the second As+2.33- site, As+2.33- is bonded in a distorted rectangular see-saw-like geometry to one La3+ and three equivalent Si4+ atoms. In the third As+2.33- site, As+2.33- is bonded to four equivalent La3+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing AsLa4Si trigonal bipyramids.},
doi = {10.17188/1280843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: