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Title: Materials Data on AcOF by Materials Project

Abstract

AcOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ac–O bond lengths are 2.59 Å. All Ac–F bond lengths are 2.59 Å. O2- is bonded to four equivalent Ac3+ atoms to form OAc4 tetrahedra that share corners with four equivalent FAc4 tetrahedra, corners with twelve equivalent OAc4 tetrahedra, and edges with six equivalent FAc4 tetrahedra. F1- is bonded to four equivalent Ac3+ atoms to form FAc4 tetrahedra that share corners with four equivalent OAc4 tetrahedra, corners with twelve equivalent FAc4 tetrahedra, and edges with six equivalent OAc4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36526
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; AcOF; Ac-F-O
OSTI Identifier:
1207190
DOI:
10.17188/1207190

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AcOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207190.
Persson, Kristin, & Project, Materials. Materials Data on AcOF by Materials Project. United States. doi:10.17188/1207190.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AcOF by Materials Project". United States. doi:10.17188/1207190. https://www.osti.gov/servlets/purl/1207190. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207190,
title = {Materials Data on AcOF by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AcOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ac–O bond lengths are 2.59 Å. All Ac–F bond lengths are 2.59 Å. O2- is bonded to four equivalent Ac3+ atoms to form OAc4 tetrahedra that share corners with four equivalent FAc4 tetrahedra, corners with twelve equivalent OAc4 tetrahedra, and edges with six equivalent FAc4 tetrahedra. F1- is bonded to four equivalent Ac3+ atoms to form FAc4 tetrahedra that share corners with four equivalent OAc4 tetrahedra, corners with twelve equivalent FAc4 tetrahedra, and edges with six equivalent OAc4 tetrahedra.},
doi = {10.17188/1207190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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