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Title: Materials Data on La(AsIr)2 by Materials Project

Abstract

LaIr2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight Ir and eight As atoms. There are four shorter (3.32 Å) and four longer (3.37 Å) La–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.30 Å) La–As bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent As atoms. All Ir–As bond lengths are 2.58 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent La and five As atoms. There are one shorter (2.47 Å) and four longer (2.48 Å) Ir–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078889
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La(AsIr)2; As-Ir-La
OSTI Identifier:
1740628
DOI:
https://doi.org/10.17188/1740628

Citation Formats

The Materials Project. Materials Data on La(AsIr)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740628.
The Materials Project. Materials Data on La(AsIr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740628
The Materials Project. 2020. "Materials Data on La(AsIr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740628. https://www.osti.gov/servlets/purl/1740628. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740628,
title = {Materials Data on La(AsIr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaIr2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight Ir and eight As atoms. There are four shorter (3.32 Å) and four longer (3.37 Å) La–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.30 Å) La–As bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent As atoms. All Ir–As bond lengths are 2.58 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent La and five As atoms. There are one shorter (2.47 Å) and four longer (2.48 Å) Ir–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms.},
doi = {10.17188/1740628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}