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Title: Materials Data on Eu5As4 by Materials Project

Abstract

Eu5As4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Eu–As bond distances ranging from 3.09–3.23 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of face and corner-sharing EuAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Eu–As bond distances ranging from 3.08–3.18 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to seven Eu+2.40+ atoms to form a mixture of distorted edge and corner-sharing AsEu7 pentagonal bipyramids. In the second As3- site, As3- is bonded in a 9-coordinate geometry to eight Eu+2.40+ and one As3- atom. The As–As bond length is 2.83 Å.

Publication Date:
Other Number(s):
mp-1106198
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; Eu5As4; As-Eu
OSTI Identifier:
1678638
DOI:
https://doi.org/10.17188/1678638

Citation Formats

The Materials Project. Materials Data on Eu5As4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1678638.
The Materials Project. Materials Data on Eu5As4 by Materials Project. United States. doi:https://doi.org/10.17188/1678638
The Materials Project. 2019. "Materials Data on Eu5As4 by Materials Project". United States. doi:https://doi.org/10.17188/1678638. https://www.osti.gov/servlets/purl/1678638. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1678638,
title = {Materials Data on Eu5As4 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu5As4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of Eu–As bond distances ranging from 3.09–3.23 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded to six As3- atoms to form a mixture of face and corner-sharing EuAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Eu–As bond distances ranging from 3.08–3.18 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to seven Eu+2.40+ atoms to form a mixture of distorted edge and corner-sharing AsEu7 pentagonal bipyramids. In the second As3- site, As3- is bonded in a 9-coordinate geometry to eight Eu+2.40+ and one As3- atom. The As–As bond length is 2.83 Å.},
doi = {10.17188/1678638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}