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Title: Materials Data on Y2Ti2S2O5 by Materials Project

Abstract

Y2Ti2O5S2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Y–S bond lengths. There are two shorter (2.45 Å) and two longer (2.46 Å) Y–O bond lengths. Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There is one shorter (1.81 Å) and four longer (1.96 Å) Ti–O bond length. S2- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-25305
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; Y2Ti2S2O5; O-S-Ti-Y
OSTI Identifier:
1200585
DOI:
https://doi.org/10.17188/1200585

Citation Formats

The Materials Project. Materials Data on Y2Ti2S2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200585.
The Materials Project. Materials Data on Y2Ti2S2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1200585
The Materials Project. 2020. "Materials Data on Y2Ti2S2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1200585. https://www.osti.gov/servlets/purl/1200585. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1200585,
title = {Materials Data on Y2Ti2S2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Ti2O5S2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Y–S bond lengths. There are two shorter (2.45 Å) and two longer (2.46 Å) Y–O bond lengths. Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There is one shorter (1.81 Å) and four longer (1.96 Å) Ti–O bond length. S2- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1200585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Works referencing / citing this record:

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