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Title: Materials Data on Cs3DyO3 by Materials Project

Abstract

Cs3DyO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.88–3.38 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.70 Å. Dy3+ is bonded to four O2- atoms to form edge-sharing DyO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.14–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Cs1+ and two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Dy3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Dy3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1178583
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; Cs3DyO3; Cs-Dy-O
OSTI Identifier:
1680377
DOI:
https://doi.org/10.17188/1680377

Citation Formats

The Materials Project. Materials Data on Cs3DyO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680377.
The Materials Project. Materials Data on Cs3DyO3 by Materials Project. United States. doi:https://doi.org/10.17188/1680377
The Materials Project. 2020. "Materials Data on Cs3DyO3 by Materials Project". United States. doi:https://doi.org/10.17188/1680377. https://www.osti.gov/servlets/purl/1680377. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680377,
title = {Materials Data on Cs3DyO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3DyO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.34 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.88–3.38 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.70 Å. Dy3+ is bonded to four O2- atoms to form edge-sharing DyO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.14–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Cs1+ and two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Dy3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Dy3+ atom.},
doi = {10.17188/1680377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}