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Title: Materials Data on Y2(OF)3 by Materials Project

Abstract

Y2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Y–O bond lengths are 2.37 Å. All Y–F bond lengths are 2.44 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Y–O bond lengths are 2.34 Å. All Y–F bond lengths are 2.32 Å. O is bonded in a trigonal non-coplanar geometry to three Y atoms. F is bonded in a trigonal non-coplanar geometry to three Y atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216131
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; Y2(OF)3; F-O-Y
OSTI Identifier:
1663580
DOI:
https://doi.org/10.17188/1663580

Citation Formats

The Materials Project. Materials Data on Y2(OF)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663580.
The Materials Project. Materials Data on Y2(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1663580
The Materials Project. 2020. "Materials Data on Y2(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1663580. https://www.osti.gov/servlets/purl/1663580. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1663580,
title = {Materials Data on Y2(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Y–O bond lengths are 2.37 Å. All Y–F bond lengths are 2.44 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Y–O bond lengths are 2.34 Å. All Y–F bond lengths are 2.32 Å. O is bonded in a trigonal non-coplanar geometry to three Y atoms. F is bonded in a trigonal non-coplanar geometry to three Y atoms.},
doi = {10.17188/1663580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}