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Title: Materials Data on La2MgNi2 by Materials Project

Abstract

La2Ni2Mg crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight La and four Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.42–3.53 Å. There are a spread of Mg–Ni bond distances ranging from 2.93–3.34 Å. In the second Mg site, Mg is bonded to eight La and four Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.40–3.49 Å. There are a spread of Mg–Ni bond distances ranging from 2.95–3.14 Å. There are four inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.94–3.16 Å. In the second La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.10 Å. In the third La site, La is bonded in a 6-coordinate geometry to fourmore » Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.89–3.05 Å. In the fourth La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.13 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six La, and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six La, and one Ni atom. The Ni–Ni bond length is 2.60 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to two Mg, six La, and one Ni atom. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two Mg, six La, and one Ni atom.« less

Publication Date:
Other Number(s):
mp-1196215
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; La2MgNi2; La-Mg-Ni
OSTI Identifier:
1664167
DOI:
https://doi.org/10.17188/1664167

Citation Formats

The Materials Project. Materials Data on La2MgNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664167.
The Materials Project. Materials Data on La2MgNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1664167
The Materials Project. 2020. "Materials Data on La2MgNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1664167. https://www.osti.gov/servlets/purl/1664167. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1664167,
title = {Materials Data on La2MgNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Ni2Mg crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight La and four Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.42–3.53 Å. There are a spread of Mg–Ni bond distances ranging from 2.93–3.34 Å. In the second Mg site, Mg is bonded to eight La and four Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.40–3.49 Å. There are a spread of Mg–Ni bond distances ranging from 2.95–3.14 Å. There are four inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.94–3.16 Å. In the second La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.10 Å. In the third La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.89–3.05 Å. In the fourth La site, La is bonded in a 6-coordinate geometry to four Mg and six Ni atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.13 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six La, and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six La, and one Ni atom. The Ni–Ni bond length is 2.60 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to two Mg, six La, and one Ni atom. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to two Mg, six La, and one Ni atom.},
doi = {10.17188/1664167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}