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Title: Materials Data on GdThO3 by Materials Project

Abstract

ThGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent O atoms to form ThO6 octahedra that share corners with six equivalent ThO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Th–O bond lengths are 2.29 Å. Gd is bonded to twelve equivalent O atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent ThO6 octahedra. All Gd–O bond lengths are 3.24 Å. O is bonded in a linear geometry to two equivalent Th and four equivalent Gd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184491
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GdThO3; Gd-O-Th
OSTI Identifier:
1711185
DOI:
https://doi.org/10.17188/1711185

Citation Formats

The Materials Project. Materials Data on GdThO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711185.
The Materials Project. Materials Data on GdThO3 by Materials Project. United States. doi:https://doi.org/10.17188/1711185
The Materials Project. 2020. "Materials Data on GdThO3 by Materials Project". United States. doi:https://doi.org/10.17188/1711185. https://www.osti.gov/servlets/purl/1711185. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1711185,
title = {Materials Data on GdThO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ThGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to six equivalent O atoms to form ThO6 octahedra that share corners with six equivalent ThO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Th–O bond lengths are 2.29 Å. Gd is bonded to twelve equivalent O atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent ThO6 octahedra. All Gd–O bond lengths are 3.24 Å. O is bonded in a linear geometry to two equivalent Th and four equivalent Gd atoms.},
doi = {10.17188/1711185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}