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Title: Materials Data on Sr2Mg by Materials Project

Abstract

Sr2Mg1 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form distorted SrSr10Mg2 cuboctahedra that share corners with eighteen SrSr10Mg2 cuboctahedra, edges with ten SrSr8Mg4 cuboctahedra, and faces with twelve SrSr10Mg2 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.86–4.17 Å. Both Sr–Mg bond lengths are 3.81 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr8Mg4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.89–4.17 Å. All Sr–Mg bond lengths are 3.86 Å. In the third Sr site, Sr is bonded to six Sr and six Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr6Mg6 cuboctahedra. Both Sr–Sr bond lengths are 4.17 Å. There are two shorter (3.84 Å) and four longer (3.87 Å) Sr–Mg bond lengths. In the fourth Sr site, Sr is bonded to eight Sr and four Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with six equivalent SrSr8Mg4 cuboctahedra, edgesmore » with twelve SrSr10Mg2 cuboctahedra, and faces with sixteen SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.17 Å. There are two shorter (3.97 Å) and two longer (4.00 Å) Sr–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Sr atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1094313
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; Sr2Mg; Mg-Sr
OSTI Identifier:
1705520
DOI:
https://doi.org/10.17188/1705520

Citation Formats

The Materials Project. Materials Data on Sr2Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705520.
The Materials Project. Materials Data on Sr2Mg by Materials Project. United States. doi:https://doi.org/10.17188/1705520
The Materials Project. 2020. "Materials Data on Sr2Mg by Materials Project". United States. doi:https://doi.org/10.17188/1705520. https://www.osti.gov/servlets/purl/1705520. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705520,
title = {Materials Data on Sr2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Mg1 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form distorted SrSr10Mg2 cuboctahedra that share corners with eighteen SrSr10Mg2 cuboctahedra, edges with ten SrSr8Mg4 cuboctahedra, and faces with twelve SrSr10Mg2 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.86–4.17 Å. Both Sr–Mg bond lengths are 3.81 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr8Mg4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.89–4.17 Å. All Sr–Mg bond lengths are 3.86 Å. In the third Sr site, Sr is bonded to six Sr and six Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr6Mg6 cuboctahedra. Both Sr–Sr bond lengths are 4.17 Å. There are two shorter (3.84 Å) and four longer (3.87 Å) Sr–Mg bond lengths. In the fourth Sr site, Sr is bonded to eight Sr and four Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with six equivalent SrSr8Mg4 cuboctahedra, edges with twelve SrSr10Mg2 cuboctahedra, and faces with sixteen SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.17 Å. There are two shorter (3.97 Å) and two longer (4.00 Å) Sr–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Sr atoms.},
doi = {10.17188/1705520},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}