U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2SiSeO4 by Materials Project
Abstract
Tb2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Tb–Se bond lengths are 3.06 Å. There are a spread of Tb–O bond distances ranging from 2.37–2.45 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.89 Å) and one longer (3.00 Å) Tb–Se bond lengths. There are a spread of Tb–O bond distances ranging from 2.41–2.55 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Tb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-17913
- 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-Se-Si-Tb; Tb2SiSeO4; crystal structure
- OSTI Identifier:
- 1192772
- DOI:
- https://doi.org/10.17188/1192772
Citation Formats
Materials Data on Tb2SiSeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192772.
Materials Data on Tb2SiSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192772
2020.
"Materials Data on Tb2SiSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192772. https://www.osti.gov/servlets/purl/1192772. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192772,
title = {Materials Data on Tb2SiSeO4 by Materials Project},
abstractNote = {Tb2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Tb–Se bond lengths are 3.06 Å. There are a spread of Tb–O bond distances ranging from 2.37–2.45 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.89 Å) and one longer (3.00 Å) Tb–Se bond lengths. There are a spread of Tb–O bond distances ranging from 2.41–2.55 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Tb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+ and one Si4+ atom.},
doi = {10.17188/1192772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}