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Title: Materials Data on LaMg14C by Materials Project

Abstract

Mg14LaC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.34 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.40 Å. In the third Mg site, Mg is bonded in a single-bond geometry to four Mg, two equivalent La, and one C atom. There are two shorter (3.00 Å) and two longer (3.40 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.42 Å) Mg–La bond lengths. The Mg–C bond length is 2.36 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.10 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one La atom. There are a spread of Mg–Mg bond distances ranging from 2.97–3.42 Å. The Mg–La bond length is 3.39 Å. In themore » sixth Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one La atom. Both Mg–Mg bond lengths are 3.26 Å. The Mg–La bond length is 3.17 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to four Mg, two equivalent La, and one C atom. Both Mg–La bond lengths are 3.54 Å. The Mg–C bond length is 2.46 Å. La is bonded in a 2-coordinate geometry to fourteen Mg and two equivalent C atoms. Both La–C bond lengths are 3.12 Å. C is bonded in a 6-coordinate geometry to four Mg and two equivalent La atoms.« less

Publication Date:
Other Number(s):
mp-1026807
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; LaMg14C; C-La-Mg
OSTI Identifier:
1672013
DOI:
https://doi.org/10.17188/1672013

Citation Formats

The Materials Project. Materials Data on LaMg14C by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1672013.
The Materials Project. Materials Data on LaMg14C by Materials Project. United States. doi:https://doi.org/10.17188/1672013
The Materials Project. 2018. "Materials Data on LaMg14C by Materials Project". United States. doi:https://doi.org/10.17188/1672013. https://www.osti.gov/servlets/purl/1672013. Pub date:Thu May 17 00:00:00 EDT 2018
@article{osti_1672013,
title = {Materials Data on LaMg14C by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14LaC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form corner-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.34 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.40 Å. In the third Mg site, Mg is bonded in a single-bond geometry to four Mg, two equivalent La, and one C atom. There are two shorter (3.00 Å) and two longer (3.40 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.42 Å) Mg–La bond lengths. The Mg–C bond length is 2.36 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 2.95–3.10 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one La atom. There are a spread of Mg–Mg bond distances ranging from 2.97–3.42 Å. The Mg–La bond length is 3.39 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to eleven Mg and one La atom. Both Mg–Mg bond lengths are 3.26 Å. The Mg–La bond length is 3.17 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to four Mg, two equivalent La, and one C atom. Both Mg–La bond lengths are 3.54 Å. The Mg–C bond length is 2.46 Å. La is bonded in a 2-coordinate geometry to fourteen Mg and two equivalent C atoms. Both La–C bond lengths are 3.12 Å. C is bonded in a 6-coordinate geometry to four Mg and two equivalent La atoms.},
doi = {10.17188/1672013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}