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Title: Materials Data on SmMg2Ni9 by Materials Project

Abstract

Mg2SmNi9 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Mg–Ni bond distances ranging from 2.81–2.86 Å. Sm is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.81 Å) and twelve longer (3.15 Å) Sm–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.81 Å. In the second Ni site, Ni is bonded to three equivalent Mg, two equivalent Sm, and seven Ni atoms to form a mixture of edge, face, and corner-sharing NiSm2Mg3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.46 Å. In the third Ni site, Ni is bonded to six equivalent Mg and six equivalent Ni atoms to form NiMg6Ni6 cuboctahedra that share corners with twelve equivalent NiSm2Mg3Ni7 cuboctahedra, edges with six equivalent NiMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiSm2Mg3Ni7 cuboctahedra.

Publication Date:
Other Number(s):
mp-569494
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; SmMg2Ni9; Mg-Ni-Sm
OSTI Identifier:
1275123
DOI:
10.17188/1275123

Citation Formats

The Materials Project. Materials Data on SmMg2Ni9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275123.
The Materials Project. Materials Data on SmMg2Ni9 by Materials Project. United States. doi:10.17188/1275123.
The Materials Project. 2020. "Materials Data on SmMg2Ni9 by Materials Project". United States. doi:10.17188/1275123. https://www.osti.gov/servlets/purl/1275123. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275123,
title = {Materials Data on SmMg2Ni9 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2SmNi9 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Mg–Ni bond distances ranging from 2.81–2.86 Å. Sm is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.81 Å) and twelve longer (3.15 Å) Sm–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.81 Å. In the second Ni site, Ni is bonded to three equivalent Mg, two equivalent Sm, and seven Ni atoms to form a mixture of edge, face, and corner-sharing NiSm2Mg3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.46 Å. In the third Ni site, Ni is bonded to six equivalent Mg and six equivalent Ni atoms to form NiMg6Ni6 cuboctahedra that share corners with twelve equivalent NiSm2Mg3Ni7 cuboctahedra, edges with six equivalent NiMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiSm2Mg3Ni7 cuboctahedra.},
doi = {10.17188/1275123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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