U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaMgI5 by Materials Project
Abstract
MgLaI5 crystallizes in the orthorhombic Pnma 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 a spread of Mg–I bond distances ranging from 2.94–2.99 Å. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.16–3.60 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent La3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-756448
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LaMgI5; I-La-Mg
- OSTI Identifier:
- 1290517
- DOI:
- https://doi.org/10.17188/1290517
Citation Formats
The Materials Project. Materials Data on LaMgI5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290517.
The Materials Project. Materials Data on LaMgI5 by Materials Project. United States. doi:https://doi.org/10.17188/1290517
The Materials Project. 2020.
"Materials Data on LaMgI5 by Materials Project". United States. doi:https://doi.org/10.17188/1290517. https://www.osti.gov/servlets/purl/1290517. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290517,
title = {Materials Data on LaMgI5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgLaI5 crystallizes in the orthorhombic Pnma 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 a spread of Mg–I bond distances ranging from 2.94–2.99 Å. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.16–3.60 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent La3+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent La3+ atoms.},
doi = {10.17188/1290517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}