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Title: Materials Data on La2I5 by Materials Project

Abstract

La2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one La2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent La+2.50+ sites. In the first La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form a mixture of distorted edge and face-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.26–3.42 Å. In the second La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form distorted edge-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.21–3.45 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent La+2.50+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms. In the fifth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms.

Publication Date:
Other Number(s):
mp-30282
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; La2I5; I-La
OSTI Identifier:
1204708
DOI:
https://doi.org/10.17188/1204708

Citation Formats

The Materials Project. Materials Data on La2I5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204708.
The Materials Project. Materials Data on La2I5 by Materials Project. United States. doi:https://doi.org/10.17188/1204708
The Materials Project. 2020. "Materials Data on La2I5 by Materials Project". United States. doi:https://doi.org/10.17188/1204708. https://www.osti.gov/servlets/purl/1204708. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204708,
title = {Materials Data on La2I5 by Materials Project},
author = {The Materials Project},
abstractNote = {La2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one La2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent La+2.50+ sites. In the first La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form a mixture of distorted edge and face-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.26–3.42 Å. In the second La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form distorted edge-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.21–3.45 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent La+2.50+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms. In the fifth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms.},
doi = {10.17188/1204708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}