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Title: Materials Data on Ce2SiSeO4 by Materials Project

Abstract

Ce2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.98 Å) and one longer (3.16 Å) Ce–Se bond lengths. There are four shorter (2.51 Å) and two longer (2.61 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Ce–Se bond lengths are 3.19 Å. There are a spread of Ce–O bond distances ranging from 2.50–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 1-coordinate geometry to four Ce3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542664
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; Ce2SiSeO4; Ce-O-Se-Si
OSTI Identifier:
1266625
DOI:
10.17188/1266625

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce2SiSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266625.
Persson, Kristin, & Project, Materials. Materials Data on Ce2SiSeO4 by Materials Project. United States. doi:10.17188/1266625.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce2SiSeO4 by Materials Project". United States. doi:10.17188/1266625. https://www.osti.gov/servlets/purl/1266625. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1266625,
title = {Materials Data on Ce2SiSeO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.98 Å) and one longer (3.16 Å) Ce–Se bond lengths. There are four shorter (2.51 Å) and two longer (2.61 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Ce–Se bond lengths are 3.19 Å. There are a spread of Ce–O bond distances ranging from 2.50–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 1-coordinate geometry to four Ce3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom.},
doi = {10.17188/1266625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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