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Title: Materials Data on CsY(SeO3)2 by Materials Project

Abstract

CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra and edges with six equivalent YO6 octahedra. There are six shorter (3.30 Å) and six longer (3.52 Å) Cs–O bond lengths. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share edges with six equivalent CsO12 cuboctahedra. All Y–O bond lengths are 2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.73 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Y3+, and one Se4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1195090
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(SeO3)2; Cs-O-Se-Y
OSTI Identifier:
1711159
DOI:
https://doi.org/10.17188/1711159

Citation Formats

The Materials Project. Materials Data on CsY(SeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711159.
The Materials Project. Materials Data on CsY(SeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711159
The Materials Project. 2020. "Materials Data on CsY(SeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711159. https://www.osti.gov/servlets/purl/1711159. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711159,
title = {Materials Data on CsY(SeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra and edges with six equivalent YO6 octahedra. There are six shorter (3.30 Å) and six longer (3.52 Å) Cs–O bond lengths. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share edges with six equivalent CsO12 cuboctahedra. All Y–O bond lengths are 2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.73 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Y3+, and one Se4+ atom.},
doi = {10.17188/1711159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}