U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-S-Tb-Ti; Tb2Ti2S2O5; crystal structure
- OSTI Identifier:
- 1187482
- DOI:
- https://doi.org/10.17188/1187482
Citation Formats
Materials Data on Tb2Ti2S2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187482.
Materials Data on Tb2Ti2S2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1187482
2020.
"Materials Data on Tb2Ti2S2O5 by Materials Project". United States. doi:https://doi.org/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},
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}
}