U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3ErO3 by Materials Project
Abstract
Cs3ErO3 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 ErO4 tetrahedra and an edgeedge with one CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.33 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.62 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.84–3.38 Å. Er3+ is bonded to four O2- atoms to form ErO4 tetrahedra that share corners with five equivalent CsO4 tetrahedra and an edgeedge with one ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.11–2.21 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 Er3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Er3+more »
- Publication Date:
- Other Number(s):
- mp-1178430
- 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; crystal structure; Cs-Er-O; Cs3ErO3
- OSTI Identifier:
- 1677683
- DOI:
- https://doi.org/10.17188/1677683
Citation Formats
Materials Data on Cs3ErO3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1677683.
Materials Data on Cs3ErO3 by Materials Project. United States. doi:https://doi.org/10.17188/1677683
2019.
"Materials Data on Cs3ErO3 by Materials Project". United States. doi:https://doi.org/10.17188/1677683. https://www.osti.gov/servlets/purl/1677683. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1677683,
title = {Materials Data on Cs3ErO3 by Materials Project},
abstractNote = {Cs3ErO3 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 ErO4 tetrahedra and an edgeedge with one CsO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.33 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.62 Å. In the third Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.84–3.38 Å. Er3+ is bonded to four O2- atoms to form ErO4 tetrahedra that share corners with five equivalent CsO4 tetrahedra and an edgeedge with one ErO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.11–2.21 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 Er3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two equivalent Er3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Er3+ atom.},
doi = {10.17188/1677683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}