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Title: Materials Data on SrNi5As3 by Materials Project

Abstract

SrNi5As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven As3- atoms. There are a spread of Sr–As bond distances ranging from 3.17–3.40 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.30–2.44 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Ni–As bond lengths are 2.44 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.39–2.42 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Sr2+ and seven Ni+1.40+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Sr2+ and six Ni+1.40+ atoms.

Publication Date:
Other Number(s):
mp-17396
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; SrNi5As3; As-Ni-Sr
OSTI Identifier:
1192486
DOI:
https://doi.org/10.17188/1192486

Citation Formats

The Materials Project. Materials Data on SrNi5As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192486.
The Materials Project. Materials Data on SrNi5As3 by Materials Project. United States. doi:https://doi.org/10.17188/1192486
The Materials Project. 2020. "Materials Data on SrNi5As3 by Materials Project". United States. doi:https://doi.org/10.17188/1192486. https://www.osti.gov/servlets/purl/1192486. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1192486,
title = {Materials Data on SrNi5As3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNi5As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven As3- atoms. There are a spread of Sr–As bond distances ranging from 3.17–3.40 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.30–2.44 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Ni–As bond lengths are 2.44 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.39–2.42 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Sr2+ and seven Ni+1.40+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Sr2+ and six Ni+1.40+ atoms.},
doi = {10.17188/1192486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}