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Title: Materials Data on TbGdO3 by Materials Project

Abstract

TbGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.33 Å. Gd3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Gd–O bond distances ranging from 2.24–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OTb2Gd2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Gd3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756224
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; TbGdO3; Gd-O-Tb
OSTI Identifier:
1290448
DOI:
10.17188/1290448

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TbGdO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290448.
Persson, Kristin, & Project, Materials. Materials Data on TbGdO3 by Materials Project. United States. doi:10.17188/1290448.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TbGdO3 by Materials Project". United States. doi:10.17188/1290448. https://www.osti.gov/servlets/purl/1290448. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290448,
title = {Materials Data on TbGdO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TbGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Tb–O bond distances ranging from 2.26–2.33 Å. Gd3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Gd–O bond distances ranging from 2.24–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OTb2Gd2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Gd3+ atom.},
doi = {10.17188/1290448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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