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Title: Materials Data on Sr3As4 by Materials Project

Abstract

Sr3As4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Sr–As bond distances ranging from 3.19–3.35 Å. In the second Sr2+ site, Sr2+ is bonded to eight As+1.50- atoms to form a mixture of distorted edge and corner-sharing SrAs8 hexagonal bipyramids. There are a spread of Sr–As bond distances ranging from 3.18–3.33 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two As+1.50- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Sr2+ and one As+1.50- atom.

Authors:
Publication Date:
Other Number(s):
mp-15339
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; Sr3As4; As-Sr
OSTI Identifier:
1191111
DOI:
https://doi.org/10.17188/1191111

Citation Formats

The Materials Project. Materials Data on Sr3As4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191111.
The Materials Project. Materials Data on Sr3As4 by Materials Project. United States. doi:https://doi.org/10.17188/1191111
The Materials Project. 2020. "Materials Data on Sr3As4 by Materials Project". United States. doi:https://doi.org/10.17188/1191111. https://www.osti.gov/servlets/purl/1191111. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1191111,
title = {Materials Data on Sr3As4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3As4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Sr–As bond distances ranging from 3.19–3.35 Å. In the second Sr2+ site, Sr2+ is bonded to eight As+1.50- atoms to form a mixture of distorted edge and corner-sharing SrAs8 hexagonal bipyramids. There are a spread of Sr–As bond distances ranging from 3.18–3.33 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two As+1.50- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Sr2+ and one As+1.50- atom.},
doi = {10.17188/1191111},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}