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Title: Materials Data on SrIn3Au by Materials Project

Abstract

SrAuIn3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two SrAuIn3 sheets oriented in the (0, 0, 1) direction. Sr is bonded in a 12-coordinate geometry to four equivalent Au and eight In atoms. All Sr–Au bond lengths are 3.47 Å. There are four shorter (3.56 Å) and four longer (3.79 Å) Sr–In bond lengths. Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.73 Å) and four longer (2.89 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted water-like geometry to two equivalent Sr and two equivalent Au atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Sr and one Au atom.

Publication Date:
Other Number(s):
mp-1218236
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; SrIn3Au; Au-In-Sr
OSTI Identifier:
1655606
DOI:
https://doi.org/10.17188/1655606

Citation Formats

The Materials Project. Materials Data on SrIn3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655606.
The Materials Project. Materials Data on SrIn3Au by Materials Project. United States. doi:https://doi.org/10.17188/1655606
The Materials Project. 2020. "Materials Data on SrIn3Au by Materials Project". United States. doi:https://doi.org/10.17188/1655606. https://www.osti.gov/servlets/purl/1655606. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655606,
title = {Materials Data on SrIn3Au by Materials Project},
author = {The Materials Project},
abstractNote = {SrAuIn3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two SrAuIn3 sheets oriented in the (0, 0, 1) direction. Sr is bonded in a 12-coordinate geometry to four equivalent Au and eight In atoms. All Sr–Au bond lengths are 3.47 Å. There are four shorter (3.56 Å) and four longer (3.79 Å) Sr–In bond lengths. Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.73 Å) and four longer (2.89 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted water-like geometry to two equivalent Sr and two equivalent Au atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Sr and one Au atom.},
doi = {10.17188/1655606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}