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Title: Materials Data on Ce2SeF4 by Materials Project

Abstract

Ce2SeF4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and seven F1- atoms. All Ce–Se bond lengths are 3.17 Å. There are four shorter (2.41 Å) and three longer (2.66 Å) Ce–F bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Ce3+ and eight F1- atoms. There are two shorter (3.22 Å) and six longer (3.29 Å) Se–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and one Se2- atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ and three equivalent Se2- atoms.

Publication Date:
Other Number(s):
mp-27617
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; Ce2SeF4; Ce-F-Se
OSTI Identifier:
1201819
DOI:
https://doi.org/10.17188/1201819

Citation Formats

The Materials Project. Materials Data on Ce2SeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201819.
The Materials Project. Materials Data on Ce2SeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1201819
The Materials Project. 2020. "Materials Data on Ce2SeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1201819. https://www.osti.gov/servlets/purl/1201819. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201819,
title = {Materials Data on Ce2SeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2SeF4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and seven F1- atoms. All Ce–Se bond lengths are 3.17 Å. There are four shorter (2.41 Å) and three longer (2.66 Å) Ce–F bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Ce3+ and eight F1- atoms. There are two shorter (3.22 Å) and six longer (3.29 Å) Se–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and one Se2- atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ and three equivalent Se2- atoms.},
doi = {10.17188/1201819},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}