U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsTb(MoO4)2 by Materials Project
Abstract
CsTb(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 2.91–3.42 Å. Tb3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.77 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, two equivalent Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Tb3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Tb3+, and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1213289
- 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-Mo-O-Tb; CsTb(MoO4)2; crystal structure
- OSTI Identifier:
- 1708124
- DOI:
- https://doi.org/10.17188/1708124
Citation Formats
Materials Data on CsTb(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708124.
Materials Data on CsTb(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1708124
2020.
"Materials Data on CsTb(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1708124. https://www.osti.gov/servlets/purl/1708124. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708124,
title = {Materials Data on CsTb(MoO4)2 by Materials Project},
abstractNote = {CsTb(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 2.91–3.42 Å. Tb3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.77 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, two equivalent Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Tb3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Tb3+, and one Mo6+ atom.},
doi = {10.17188/1708124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}