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Title: Materials Data on LaMgI5 by Materials Project

Abstract

MgLaI5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two MgLaI5 sheets oriented in the (0, 1, 0) direction. Mg2+ is bonded to six I1- atoms to form edge-sharing MgI6 octahedra. There are two shorter (2.94 Å) and four longer (2.96 Å) Mg–I bond lengths. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.17–3.52 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent La3+ atoms.

Publication Date:
Other Number(s):
mp-756578
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; LaMgI5; I-La-Mg
OSTI Identifier:
1290561
DOI:
https://doi.org/10.17188/1290561

Citation Formats

The Materials Project. Materials Data on LaMgI5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290561.
The Materials Project. Materials Data on LaMgI5 by Materials Project. United States. doi:https://doi.org/10.17188/1290561
The Materials Project. 2020. "Materials Data on LaMgI5 by Materials Project". United States. doi:https://doi.org/10.17188/1290561. https://www.osti.gov/servlets/purl/1290561. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1290561,
title = {Materials Data on LaMgI5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgLaI5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two MgLaI5 sheets oriented in the (0, 1, 0) direction. Mg2+ is bonded to six I1- atoms to form edge-sharing MgI6 octahedra. There are two shorter (2.94 Å) and four longer (2.96 Å) Mg–I bond lengths. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.17–3.52 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent La3+ atoms.},
doi = {10.17188/1290561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}