DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsLu(SO4)2 by Materials Project

Abstract

CsLu(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.11–3.70 Å. Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.21–2.35 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Lu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Lu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Lu3+, and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1213663
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; CsLu(SO4)2; Cs-Lu-O-S
OSTI Identifier:
1717535
DOI:
https://doi.org/10.17188/1717535

Citation Formats

The Materials Project. Materials Data on CsLu(SO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717535.
The Materials Project. Materials Data on CsLu(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717535
The Materials Project. 2019. "Materials Data on CsLu(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717535. https://www.osti.gov/servlets/purl/1717535. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717535,
title = {Materials Data on CsLu(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLu(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.11–3.70 Å. Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.21–2.35 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Lu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Lu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Lu3+, and one S6+ atom.},
doi = {10.17188/1717535},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}