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Title: Materials Data on LaAgAs2 by Materials Project

Abstract

LaAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one Ag1+ and seven As2- atoms. The La–Ag bond length is 3.17 Å. There are a spread of La–As bond distances ranging from 3.01–3.75 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to eight As2- atoms. There are a spread of La–As bond distances ranging from 3.12–3.66 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to one La3+ and five As2- atoms. There are a spread of Ag–As bond distances ranging from 2.59–2.82 Å. In the second Ag1+ site, Ag1+ is bonded to four As2- atoms to form distorted edge-sharing AgAs4 tetrahedra. All Ag–As bond lengths are 2.72 Å. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded in a 1-coordinate geometry to four La3+, two equivalent Ag1+, and two equivalent As2- atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) As–As bond lengths. In the second As2- site, As2- is bonded to four La3+more » and two equivalent Ag1+ atoms to form distorted corner-sharing AsLa4Ag2 pentagonal pyramids. In the third As2- site, As2- is bonded in a 6-coordinate geometry to three La3+ and three Ag1+ atoms.« less

Publication Date:
Other Number(s):
mp-1223379
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; LaAgAs2; Ag-As-La
OSTI Identifier:
1677797
DOI:
https://doi.org/10.17188/1677797

Citation Formats

The Materials Project. Materials Data on LaAgAs2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677797.
The Materials Project. Materials Data on LaAgAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1677797
The Materials Project. 2019. "Materials Data on LaAgAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1677797. https://www.osti.gov/servlets/purl/1677797. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677797,
title = {Materials Data on LaAgAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to one Ag1+ and seven As2- atoms. The La–Ag bond length is 3.17 Å. There are a spread of La–As bond distances ranging from 3.01–3.75 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to eight As2- atoms. There are a spread of La–As bond distances ranging from 3.12–3.66 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to one La3+ and five As2- atoms. There are a spread of Ag–As bond distances ranging from 2.59–2.82 Å. In the second Ag1+ site, Ag1+ is bonded to four As2- atoms to form distorted edge-sharing AgAs4 tetrahedra. All Ag–As bond lengths are 2.72 Å. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded in a 1-coordinate geometry to four La3+, two equivalent Ag1+, and two equivalent As2- atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) As–As bond lengths. In the second As2- site, As2- is bonded to four La3+ and two equivalent Ag1+ atoms to form distorted corner-sharing AsLa4Ag2 pentagonal pyramids. In the third As2- site, As2- is bonded in a 6-coordinate geometry to three La3+ and three Ag1+ atoms.},
doi = {10.17188/1677797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}