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Title: Materials Data on Y2Mn2S2O5 by Materials Project

Abstract

Y2Mn2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.90 Å) and one longer (3.08 Å) Y–S bond lengths. All Y–O bond lengths are 2.35 Å. Mn4+ is bonded in a 5-coordinate geometry to one S2- and five O2- atoms. The Mn–S bond length is 2.90 Å. There is one shorter (1.82 Å) and four longer (1.97 Å) Mn–O bond length. S2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one Mn4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-656880
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; Y2Mn2S2O5; Mn-O-S-Y
OSTI Identifier:
1281349
DOI:
10.17188/1281349

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y2Mn2S2O5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1281349.
Persson, Kristin, & Project, Materials. Materials Data on Y2Mn2S2O5 by Materials Project. United States. doi:10.17188/1281349.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Y2Mn2S2O5 by Materials Project". United States. doi:10.17188/1281349. https://www.osti.gov/servlets/purl/1281349. Pub date:Fri Jun 23 00:00:00 EDT 2017
@article{osti_1281349,
title = {Materials Data on Y2Mn2S2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y2Mn2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.90 Å) and one longer (3.08 Å) Y–S bond lengths. All Y–O bond lengths are 2.35 Å. Mn4+ is bonded in a 5-coordinate geometry to one S2- and five O2- atoms. The Mn–S bond length is 2.90 Å. There is one shorter (1.82 Å) and four longer (1.97 Å) Mn–O bond length. S2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one Mn4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1281349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}

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