U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsGd(MoO4)2 by Materials Project
Abstract
CsGd(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 (3.15 Å) and four longer (3.38 Å) Cs–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.54 Å) Gd–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 1.75–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Gd3+, 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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213392
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsGd(MoO4)2; Cs-Gd-Mo-O
- OSTI Identifier:
- 1652025
- DOI:
- https://doi.org/10.17188/1652025
Citation Formats
The Materials Project. Materials Data on CsGd(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652025.
The Materials Project. Materials Data on CsGd(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652025
The Materials Project. 2020.
"Materials Data on CsGd(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652025. https://www.osti.gov/servlets/purl/1652025. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1652025,
title = {Materials Data on CsGd(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGd(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 (3.15 Å) and four longer (3.38 Å) Cs–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.54 Å) Gd–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 1.75–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Gd3+, 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 = {10.17188/1652025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}