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Title: Materials Data on CsGd(MoO4)2 by Materials Project

Abstract

CsGd(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.44 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.56 Å. 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 four 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 distorted bent 120 degrees 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. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Gd3+, and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1191993
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsGd(MoO4)2; Cs-Gd-Mo-O
OSTI Identifier:
1680218
DOI:
https://doi.org/10.17188/1680218

Citation Formats

The Materials Project. Materials Data on CsGd(MoO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680218.
The Materials Project. Materials Data on CsGd(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680218
The Materials Project. 2019. "Materials Data on CsGd(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680218. https://www.osti.gov/servlets/purl/1680218. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680218,
title = {Materials Data on CsGd(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGd(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.44 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.56 Å. 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 four 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 distorted bent 120 degrees 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. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Gd3+, and one Mo6+ atom.},
doi = {10.17188/1680218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}