U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsY(MoO4)2 by Materials Project
Abstract
CsY(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.17 Å) and four longer (3.38 Å) Cs–O bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.50 Å) Y–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1096960
- 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-Y; CsY(MoO4)2; crystal structure
- OSTI Identifier:
- 1677096
- DOI:
- https://doi.org/10.17188/1677096
Citation Formats
Materials Data on CsY(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677096.
Materials Data on CsY(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677096
2020.
"Materials Data on CsY(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677096. https://www.osti.gov/servlets/purl/1677096. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677096,
title = {Materials Data on CsY(MoO4)2 by Materials Project},
abstractNote = {CsY(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.17 Å) and four longer (3.38 Å) Cs–O bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.50 Å) Y–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.},
doi = {10.17188/1677096},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}