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Title: Materials Data on LaIO3 by Materials Project

Abstract

LaO3I crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LaO3I sheets oriented in the (1, 0, 0) direction. La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.42–2.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a T-shaped geometry to one La and two equivalent I atoms. Both O–I bond lengths are 2.09 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. I is bonded in a T-shaped geometry to three O atoms.

Publication Date:
Other Number(s):
mp-1080184
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; LaIO3; I-La-O
OSTI Identifier:
1662178
DOI:
https://doi.org/10.17188/1662178

Citation Formats

The Materials Project. Materials Data on LaIO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662178.
The Materials Project. Materials Data on LaIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1662178
The Materials Project. 2020. "Materials Data on LaIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1662178. https://www.osti.gov/servlets/purl/1662178. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1662178,
title = {Materials Data on LaIO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaO3I crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LaO3I sheets oriented in the (1, 0, 0) direction. La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.42–2.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a T-shaped geometry to one La and two equivalent I atoms. Both O–I bond lengths are 2.09 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded to four equivalent La atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. I is bonded in a T-shaped geometry to three O atoms.},
doi = {10.17188/1662178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}