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Title: Materials Data on CeTaO3 by Materials Project

Abstract

CeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Ce–O bond lengths are 2.87 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Ta3+ atoms.

Publication Date:
Other Number(s):
mp-1183701
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; CeTaO3; Ce-O-Ta
OSTI Identifier:
1746679
DOI:
https://doi.org/10.17188/1746679

Citation Formats

The Materials Project. Materials Data on CeTaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746679.
The Materials Project. Materials Data on CeTaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1746679
The Materials Project. 2020. "Materials Data on CeTaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1746679. https://www.osti.gov/servlets/purl/1746679. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746679,
title = {Materials Data on CeTaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Ce–O bond lengths are 2.87 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Ta3+ atoms.},
doi = {10.17188/1746679},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}