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Title: Materials Data on BaLaEuZnO5 by Materials Project

Abstract

BaEuLaZnO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.92–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.69 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. Zn2+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, one Eu3+, two equivalent La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, one La3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Eu3+, and two equivalent La3+ atoms to form corner-sharing OBa2La2Eu2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.

Publication Date:
Other Number(s):
mp-1227966
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; BaLaEuZnO5; Ba-Eu-La-O-Zn
OSTI Identifier:
1685888
DOI:
https://doi.org/10.17188/1685888

Citation Formats

The Materials Project. Materials Data on BaLaEuZnO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685888.
The Materials Project. Materials Data on BaLaEuZnO5 by Materials Project. United States. doi:https://doi.org/10.17188/1685888
The Materials Project. 2019. "Materials Data on BaLaEuZnO5 by Materials Project". United States. doi:https://doi.org/10.17188/1685888. https://www.osti.gov/servlets/purl/1685888. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1685888,
title = {Materials Data on BaLaEuZnO5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaEuLaZnO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.92–2.97 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.69 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. Zn2+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, one Eu3+, two equivalent La3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, one La3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, two equivalent Eu3+, and two equivalent La3+ atoms to form corner-sharing OBa2La2Eu2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},
doi = {10.17188/1685888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}