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Title: Materials Data on Ce2SnS5 by Materials Project

Abstract

Ce2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.29 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are two shorter (2.59 Å) and four longer (2.63 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Ce3+ atoms. In the second S2- site, S2- is bonded to four equivalent Ce3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SCe4Sn square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Sn4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1106406
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; Ce2SnS5; Ce-S-Sn
OSTI Identifier:
1672343
DOI:
10.17188/1672343

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce2SnS5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672343.
Persson, Kristin, & Project, Materials. Materials Data on Ce2SnS5 by Materials Project. United States. doi:10.17188/1672343.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce2SnS5 by Materials Project". United States. doi:10.17188/1672343. https://www.osti.gov/servlets/purl/1672343. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672343,
title = {Materials Data on Ce2SnS5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce2SnS5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.80–3.29 Å. Sn4+ is bonded to six S2- atoms to form edge-sharing SnS6 octahedra. There are two shorter (2.59 Å) and four longer (2.63 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Ce3+ atoms. In the second S2- site, S2- is bonded to four equivalent Ce3+ and one Sn4+ atom to form a mixture of distorted corner and edge-sharing SCe4Sn square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1672343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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