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Title: Materials Data on Sc5As3 by Materials Project

Abstract

Sc5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Sc–As bond distances ranging from 2.66–3.18 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to six As atoms. There are a spread of Sc–As bond distances ranging from 2.66–3.33 Å. In the third Sc site, Sc is bonded to five As atoms to form distorted edge-sharing ScAs5 square pyramids. There are two shorter (2.81 Å) and three longer (2.82 Å) Sc–As bond lengths. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Sc–As bond distances ranging from 2.65–2.94 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 7-coordinate geometry to eight Sc atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Sc atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505002
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; Sc5As3; As-Sc
OSTI Identifier:
1262201
DOI:
10.17188/1262201

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sc5As3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1262201.
Persson, Kristin, & Project, Materials. Materials Data on Sc5As3 by Materials Project. United States. doi:10.17188/1262201.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Sc5As3 by Materials Project". United States. doi:10.17188/1262201. https://www.osti.gov/servlets/purl/1262201. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1262201,
title = {Materials Data on Sc5As3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sc5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Sc–As bond distances ranging from 2.66–3.18 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to six As atoms. There are a spread of Sc–As bond distances ranging from 2.66–3.33 Å. In the third Sc site, Sc is bonded to five As atoms to form distorted edge-sharing ScAs5 square pyramids. There are two shorter (2.81 Å) and three longer (2.82 Å) Sc–As bond lengths. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Sc–As bond distances ranging from 2.65–2.94 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 7-coordinate geometry to eight Sc atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Sc atoms.},
doi = {10.17188/1262201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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