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Title: Materials Data on SrMg6Si by Materials Project

Abstract

SrMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Si atoms to form a mixture of distorted face and corner-sharing SrMg10Si2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.26–3.49 Å. Both Sr–Si bond lengths are 3.25 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, four Mg, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.11–3.43 Å. The Mg–Si bond length is 2.90 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are two shorter (3.16 Å) and four longer (3.24 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr, four Mg, and two equivalent Si atoms. There are one shorter (3.26 Å) and one longer (3.49 Å) Mg–Mg bond lengths. Both Mg–Si bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr and ten Mg atoms. Si is bonded in a 8-coordinatemore » geometry to two equivalent Sr and six Mg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1099336
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; SrMg6Si; Mg-Si-Sr
OSTI Identifier:
1710957
DOI:
https://doi.org/10.17188/1710957

Citation Formats

The Materials Project. Materials Data on SrMg6Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710957.
The Materials Project. Materials Data on SrMg6Si by Materials Project. United States. doi:https://doi.org/10.17188/1710957
The Materials Project. 2020. "Materials Data on SrMg6Si by Materials Project". United States. doi:https://doi.org/10.17188/1710957. https://www.osti.gov/servlets/purl/1710957. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710957,
title = {Materials Data on SrMg6Si by Materials Project},
author = {The Materials Project},
abstractNote = {SrMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Si atoms to form a mixture of distorted face and corner-sharing SrMg10Si2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.26–3.49 Å. Both Sr–Si bond lengths are 3.25 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, four Mg, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.11–3.43 Å. The Mg–Si bond length is 2.90 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are two shorter (3.16 Å) and four longer (3.24 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr, four Mg, and two equivalent Si atoms. There are one shorter (3.26 Å) and one longer (3.49 Å) Mg–Mg bond lengths. Both Mg–Si bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr and ten Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Sr and six Mg atoms.},
doi = {10.17188/1710957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}