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Title: Materials Data on Sr3Sn3Au8 by Materials Project

Abstract

Sr3Au8Sn3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to eleven Au and five Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.73 Å. There are a spread of Sr–Sn bond distances ranging from 3.38–3.69 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to twelve Au and four equivalent Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.28–3.82 Å. All Sr–Sn bond lengths are 3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to four Sr, five Au, and three Sn atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.07 Å. There are one shorter (2.88 Å) and two longer (3.09 Å) Au–Sn bond lengths. In the second Au site, Au is bonded in a 10-coordinate geometry to four Sr, three Au, and three Sn atoms. The Au–Au bond length is 3.21 Å. There are two shorter (2.77 Å) and one longer (2.83 Å) Au–Sn bond lengths. In the third Au site,more » Au is bonded in a 10-coordinate geometry to four Sr, four Au, and two Sn atoms. Both Au–Au bond lengths are 2.89 Å. There are one shorter (2.81 Å) and one longer (2.86 Å) Au–Sn bond lengths. In the fourth Au site, Au is bonded in a 1-coordinate geometry to five Sr, four Au, and one Sn atom. The Au–Sn bond length is 2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Sr and five Au atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Sr and eight Au atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1194481
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; Sr3Sn3Au8; Au-Sn-Sr
OSTI Identifier:
1708186
DOI:
https://doi.org/10.17188/1708186

Citation Formats

The Materials Project. Materials Data on Sr3Sn3Au8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708186.
The Materials Project. Materials Data on Sr3Sn3Au8 by Materials Project. United States. doi:https://doi.org/10.17188/1708186
The Materials Project. 2020. "Materials Data on Sr3Sn3Au8 by Materials Project". United States. doi:https://doi.org/10.17188/1708186. https://www.osti.gov/servlets/purl/1708186. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708186,
title = {Materials Data on Sr3Sn3Au8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Au8Sn3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to eleven Au and five Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.73 Å. There are a spread of Sr–Sn bond distances ranging from 3.38–3.69 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to twelve Au and four equivalent Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.28–3.82 Å. All Sr–Sn bond lengths are 3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 12-coordinate geometry to four Sr, five Au, and three Sn atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.07 Å. There are one shorter (2.88 Å) and two longer (3.09 Å) Au–Sn bond lengths. In the second Au site, Au is bonded in a 10-coordinate geometry to four Sr, three Au, and three Sn atoms. The Au–Au bond length is 3.21 Å. There are two shorter (2.77 Å) and one longer (2.83 Å) Au–Sn bond lengths. In the third Au site, Au is bonded in a 10-coordinate geometry to four Sr, four Au, and two Sn atoms. Both Au–Au bond lengths are 2.89 Å. There are one shorter (2.81 Å) and one longer (2.86 Å) Au–Sn bond lengths. In the fourth Au site, Au is bonded in a 1-coordinate geometry to five Sr, four Au, and one Sn atom. The Au–Sn bond length is 2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Sr and five Au atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Sr and eight Au atoms.},
doi = {10.17188/1708186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}