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Title: Materials Data on Eu2Zn2As3 by Materials Project

Abstract

Eu2Zn2As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded to six As3- atoms to form EuAs6 octahedra that share corners with six equivalent EuAs7 pentagonal bipyramids, corners with seven ZnAs4 tetrahedra, edges with four equivalent EuAs6 octahedra, an edgeedge with one EuAs7 pentagonal bipyramid, edges with five ZnAs4 tetrahedra, and a faceface with one EuAs7 pentagonal bipyramid. There are a spread of Eu–As bond distances ranging from 3.04–3.08 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded to seven As3- atoms to form EuAs7 pentagonal bipyramids that share corners with six equivalent EuAs6 octahedra, corners with seven ZnAs4 tetrahedra, an edgeedge with one EuAs6 octahedra, edges with four equivalent EuAs7 pentagonal bipyramids, edges with three ZnAs4 tetrahedra, a faceface with one EuAs6 octahedra, and faces with three equivalent EuAs7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–50°. There are a spread of Eu–As bond distances ranging from 3.15–3.32 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with three equivalent EuAs6 octahedra, corners withmore » three equivalent EuAs7 pentagonal bipyramids, corners with four ZnAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, edges with two equivalent EuAs7 pentagonal bipyramids, and edges with two equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–52°. There are a spread of Zn–As bond distances ranging from 2.56–2.64 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent EuAs6 octahedra, corners with four equivalent EuAs7 pentagonal bipyramids, corners with four ZnAs4 tetrahedra, edges with two equivalent EuAs6 octahedra, an edgeedge with one EuAs7 pentagonal bipyramid, and edges with three ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–56°. There are a spread of Zn–As bond distances ranging from 2.55–2.70 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to six Eu+2.50+, one Zn2+, and one As3- atom. The As–As bond length is 2.58 Å. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four Eu+2.50+ and three Zn2+ atoms. In the third As3- site, As3- is bonded to three equivalent Eu+2.50+ and four Zn2+ atoms to form distorted edge-sharing AsEu3Zn4 pentagonal bipyramids.« less

Publication Date:
Other Number(s):
mp-1104456
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; Eu2Zn2As3; As-Eu-Zn
OSTI Identifier:
1744817
DOI:
https://doi.org/10.17188/1744817

Citation Formats

The Materials Project. Materials Data on Eu2Zn2As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744817.
The Materials Project. Materials Data on Eu2Zn2As3 by Materials Project. United States. doi:https://doi.org/10.17188/1744817
The Materials Project. 2020. "Materials Data on Eu2Zn2As3 by Materials Project". United States. doi:https://doi.org/10.17188/1744817. https://www.osti.gov/servlets/purl/1744817. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744817,
title = {Materials Data on Eu2Zn2As3 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Zn2As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded to six As3- atoms to form EuAs6 octahedra that share corners with six equivalent EuAs7 pentagonal bipyramids, corners with seven ZnAs4 tetrahedra, edges with four equivalent EuAs6 octahedra, an edgeedge with one EuAs7 pentagonal bipyramid, edges with five ZnAs4 tetrahedra, and a faceface with one EuAs7 pentagonal bipyramid. There are a spread of Eu–As bond distances ranging from 3.04–3.08 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded to seven As3- atoms to form EuAs7 pentagonal bipyramids that share corners with six equivalent EuAs6 octahedra, corners with seven ZnAs4 tetrahedra, an edgeedge with one EuAs6 octahedra, edges with four equivalent EuAs7 pentagonal bipyramids, edges with three ZnAs4 tetrahedra, a faceface with one EuAs6 octahedra, and faces with three equivalent EuAs7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–50°. There are a spread of Eu–As bond distances ranging from 3.15–3.32 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with three equivalent EuAs6 octahedra, corners with three equivalent EuAs7 pentagonal bipyramids, corners with four ZnAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, edges with two equivalent EuAs7 pentagonal bipyramids, and edges with two equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–52°. There are a spread of Zn–As bond distances ranging from 2.56–2.64 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent EuAs6 octahedra, corners with four equivalent EuAs7 pentagonal bipyramids, corners with four ZnAs4 tetrahedra, edges with two equivalent EuAs6 octahedra, an edgeedge with one EuAs7 pentagonal bipyramid, and edges with three ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–56°. There are a spread of Zn–As bond distances ranging from 2.55–2.70 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to six Eu+2.50+, one Zn2+, and one As3- atom. The As–As bond length is 2.58 Å. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four Eu+2.50+ and three Zn2+ atoms. In the third As3- site, As3- is bonded to three equivalent Eu+2.50+ and four Zn2+ atoms to form distorted edge-sharing AsEu3Zn4 pentagonal bipyramids.},
doi = {10.17188/1744817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}