U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3TmO3 by Materials Project
Abstract
Cs3TmO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 tetrahedra that share corners with five equivalent TmO4 tetrahedra and an edgeedge with one CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.96–3.39 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.86–3.44 Å. Tm3+ is bonded to four O2- atoms to form TmO4 tetrahedra that share corners with five equivalent CsO4 tetrahedra and an edgeedge with one TmO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.09–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Cs1+ and one Tm3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+ and two equivalent Tm3+more »
- Publication Date:
- Other Number(s):
- mp-756459
- 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; Cs-O-Tm; Cs3TmO3; crystal structure
- OSTI Identifier:
- 1290522
- DOI:
- https://doi.org/10.17188/1290522
Citation Formats
Materials Data on Cs3TmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290522.
Materials Data on Cs3TmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290522
2020.
"Materials Data on Cs3TmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290522. https://www.osti.gov/servlets/purl/1290522. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1290522,
title = {Materials Data on Cs3TmO3 by Materials Project},
abstractNote = {Cs3TmO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 tetrahedra that share corners with five equivalent TmO4 tetrahedra and an edgeedge with one CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.96–3.39 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.86–3.44 Å. Tm3+ is bonded to four O2- atoms to form TmO4 tetrahedra that share corners with five equivalent CsO4 tetrahedra and an edgeedge with one TmO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.09–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Cs1+ and one Tm3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+ and two equivalent Tm3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Tm3+ atom.},
doi = {10.17188/1290522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}