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Title: Materials Data on Sr2ErTaO6 by Materials Project

Abstract

Sr2ErTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All Er–O bond lengths are 2.24 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Er3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom.

Publication Date:
Other Number(s):
mp-1208927
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; Sr2ErTaO6; Er-O-Sr-Ta
OSTI Identifier:
1663845
DOI:
https://doi.org/10.17188/1663845

Citation Formats

The Materials Project. Materials Data on Sr2ErTaO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663845.
The Materials Project. Materials Data on Sr2ErTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663845
The Materials Project. 2019. "Materials Data on Sr2ErTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1663845. https://www.osti.gov/servlets/purl/1663845. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663845,
title = {Materials Data on Sr2ErTaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2ErTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All Er–O bond lengths are 2.24 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Er3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom.},
doi = {10.17188/1663845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}