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Title: Materials Data on LaAsIr by Materials Project

Abstract

LaIrAs is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Ir and six equivalent As atoms to form a mixture of edge and face-sharing LaAs6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.28 Å) La–Ir bond lengths. There are four shorter (3.21 Å) and two longer (3.35 Å) La–As bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. In the third Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (3.22 Å) and four longer (3.28 Å) Ir–La bond lengths. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. As is bonded in a 9-coordinate geometry tomore » six equivalent La and three Ir atoms.« less

Publication Date:
Other Number(s):
mp-1071028
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; LaAsIr; As-Ir-La
OSTI Identifier:
1753871
DOI:
https://doi.org/10.17188/1753871

Citation Formats

The Materials Project. Materials Data on LaAsIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753871.
The Materials Project. Materials Data on LaAsIr by Materials Project. United States. doi:https://doi.org/10.17188/1753871
The Materials Project. 2020. "Materials Data on LaAsIr by Materials Project". United States. doi:https://doi.org/10.17188/1753871. https://www.osti.gov/servlets/purl/1753871. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753871,
title = {Materials Data on LaAsIr by Materials Project},
author = {The Materials Project},
abstractNote = {LaIrAs is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Ir and six equivalent As atoms to form a mixture of edge and face-sharing LaAs6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.28 Å) La–Ir bond lengths. There are four shorter (3.21 Å) and two longer (3.35 Å) La–As bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. In the third Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent As atoms. There are two shorter (3.22 Å) and four longer (3.28 Å) Ir–La bond lengths. There are two shorter (2.47 Å) and one longer (2.48 Å) Ir–As bond lengths. As is bonded in a 9-coordinate geometry to six equivalent La and three Ir atoms.},
doi = {10.17188/1753871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}