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Title: Materials Data on La(IO3)3 by Materials Project

Abstract

La(IO3)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two I5+ atoms. There are one shorter (1.94 Å) and one longer (2.60 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.54 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and one I5+ atom. The O–I bond length is 1.87 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to four equivalent O2- atoms.

Publication Date:
Other Number(s):
mp-1193824
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; La(IO3)3; I-La-O
OSTI Identifier:
1725179
DOI:
https://doi.org/10.17188/1725179

Citation Formats

The Materials Project. Materials Data on La(IO3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725179.
The Materials Project. Materials Data on La(IO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1725179
The Materials Project. 2019. "Materials Data on La(IO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1725179. https://www.osti.gov/servlets/purl/1725179. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1725179,
title = {Materials Data on La(IO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La(IO3)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two I5+ atoms. There are one shorter (1.94 Å) and one longer (2.60 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one La3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.54 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and one I5+ atom. The O–I bond length is 1.87 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to four equivalent O2- atoms.},
doi = {10.17188/1725179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}