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Title: Materials Data on SrMg5 by Materials Project

Abstract

SrMg5 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form SrSr6Mg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with twelve equivalent MgMg6 cuboctahedra, edges with six equivalent SrSr6Mg6 cuboctahedra, faces with two equivalent MgMg6 cuboctahedra, and faces with six equivalent SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.52 Å. All Sr–Mg bond lengths are 3.60 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to six Mg atoms to form distorted MgMg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with six equivalent MgMg6 cuboctahedra, edges with six equivalent MgMg6 cuboctahedra, a faceface with one SrSr6Mg6 cuboctahedra, and a faceface with one MgMg6 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1094321
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; SrMg5; Mg-Sr
OSTI Identifier:
1680775
DOI:
https://doi.org/10.17188/1680775

Citation Formats

The Materials Project. Materials Data on SrMg5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680775.
The Materials Project. Materials Data on SrMg5 by Materials Project. United States. doi:https://doi.org/10.17188/1680775
The Materials Project. 2020. "Materials Data on SrMg5 by Materials Project". United States. doi:https://doi.org/10.17188/1680775. https://www.osti.gov/servlets/purl/1680775. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680775,
title = {Materials Data on SrMg5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMg5 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form SrSr6Mg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with twelve equivalent MgMg6 cuboctahedra, edges with six equivalent SrSr6Mg6 cuboctahedra, faces with two equivalent MgMg6 cuboctahedra, and faces with six equivalent SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.52 Å. All Sr–Mg bond lengths are 3.60 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to six Mg atoms to form distorted MgMg6 cuboctahedra that share corners with six equivalent SrSr6Mg6 cuboctahedra, corners with six equivalent MgMg6 cuboctahedra, edges with six equivalent MgMg6 cuboctahedra, a faceface with one SrSr6Mg6 cuboctahedra, and a faceface with one MgMg6 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 cuboctahedra.},
doi = {10.17188/1680775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}