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

Abstract

CsY(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 3.22–3.58 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.54 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 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 one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1191022
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; CsY(MoO4)2; Cs-Mo-O-Y
OSTI Identifier:
1674894
DOI:
https://doi.org/10.17188/1674894

Citation Formats

The Materials Project. Materials Data on CsY(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674894.
The Materials Project. Materials Data on CsY(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1674894
The Materials Project. 2020. "Materials Data on CsY(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1674894. https://www.osti.gov/servlets/purl/1674894. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674894,
title = {Materials Data on CsY(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsY(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 3.22–3.58 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.54 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 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 one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom.},
doi = {10.17188/1674894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}