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Title: Materials Data on Tb2Ti2S2O5 by Materials Project

Abstract

Tb2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Tb–S bond lengths. All Tb–O bond lengths are 2.45 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. 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 Tb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-10960
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; Tb2Ti2S2O5; O-S-Tb-Ti
OSTI Identifier:
1187482
DOI:
10.17188/1187482

Citation Formats

The Materials Project. Materials Data on Tb2Ti2S2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187482.
The Materials Project. Materials Data on Tb2Ti2S2O5 by Materials Project. United States. doi:10.17188/1187482.
The Materials Project. 2020. "Materials Data on Tb2Ti2S2O5 by Materials Project". United States. doi:10.17188/1187482. https://www.osti.gov/servlets/purl/1187482. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187482,
title = {Materials Data on Tb2Ti2S2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Tb–S bond lengths. All Tb–O bond lengths are 2.45 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. 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 Tb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms.},
doi = {10.17188/1187482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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