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Title: Materials Data on TbOF by Materials Project

Abstract

TbOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Tb–O bond lengths are 2.29 Å. There are three shorter (2.46 Å) and one longer (2.48 Å) Tb–F bond lengths. O2- is bonded to four equivalent Tb3+ atoms to form distorted OTb4 tetrahedra that share corners with six equivalent OTb4 tetrahedra, corners with ten equivalent FTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra. F1- is bonded to four equivalent Tb3+ atoms to form distorted FTb4 tetrahedra that share corners with six equivalent FTb4 tetrahedra, corners with ten equivalent OTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra.

Publication Date:
Other Number(s):
mp-14093
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; TbOF; F-O-Tb
OSTI Identifier:
1189926
DOI:
10.17188/1189926

Citation Formats

The Materials Project. Materials Data on TbOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189926.
The Materials Project. Materials Data on TbOF by Materials Project. United States. doi:10.17188/1189926.
The Materials Project. 2020. "Materials Data on TbOF by Materials Project". United States. doi:10.17188/1189926. https://www.osti.gov/servlets/purl/1189926. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189926,
title = {Materials Data on TbOF by Materials Project},
author = {The Materials Project},
abstractNote = {TbOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Tb–O bond lengths are 2.29 Å. There are three shorter (2.46 Å) and one longer (2.48 Å) Tb–F bond lengths. O2- is bonded to four equivalent Tb3+ atoms to form distorted OTb4 tetrahedra that share corners with six equivalent OTb4 tetrahedra, corners with ten equivalent FTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra. F1- is bonded to four equivalent Tb3+ atoms to form distorted FTb4 tetrahedra that share corners with six equivalent FTb4 tetrahedra, corners with ten equivalent OTb4 tetrahedra, edges with three equivalent OTb4 tetrahedra, and edges with three equivalent FTb4 tetrahedra.},
doi = {10.17188/1189926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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