DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LaMg6B by Materials Project

Abstract

Mg6LaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms. There are four shorter (3.04 Å) and two longer (3.05 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.44 Å. Both Mg–La bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. La is bonded in a distorted bent 120 degrees geometry to six Mg and two equivalent B atoms. Both La–B bond lengths are 2.85 Å. B is bonded in a bent 120 degrees geometry to two equivalent La atoms.

Publication Date:
Other Number(s):
mp-1099317
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; LaMg6B; B-La-Mg
OSTI Identifier:
1685615
DOI:
https://doi.org/10.17188/1685615

Citation Formats

The Materials Project. Materials Data on LaMg6B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685615.
The Materials Project. Materials Data on LaMg6B by Materials Project. United States. doi:https://doi.org/10.17188/1685615
The Materials Project. 2020. "Materials Data on LaMg6B by Materials Project". United States. doi:https://doi.org/10.17188/1685615. https://www.osti.gov/servlets/purl/1685615. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685615,
title = {Materials Data on LaMg6B by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6LaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.21 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms. There are four shorter (3.04 Å) and two longer (3.05 Å) Mg–Mg bond lengths. Both Mg–La bond lengths are 3.26 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.44 Å. Both Mg–La bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. La is bonded in a distorted bent 120 degrees geometry to six Mg and two equivalent B atoms. Both La–B bond lengths are 2.85 Å. B is bonded in a bent 120 degrees geometry to two equivalent La atoms.},
doi = {10.17188/1685615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}