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Title: Materials Data on CsYC4O9 by Materials Project

Abstract

CsYC4O9 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 3.18–3.47 Å. Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.40–2.49 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Y3+ atom. In the fourth O2- site, O2- is bondedmore » in a distorted single-bond geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1213356
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; CsYC4O9; C-Cs-O-Y
OSTI Identifier:
1748534
DOI:
https://doi.org/10.17188/1748534

Citation Formats

The Materials Project. Materials Data on CsYC4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748534.
The Materials Project. Materials Data on CsYC4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1748534
The Materials Project. 2020. "Materials Data on CsYC4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1748534. https://www.osti.gov/servlets/purl/1748534. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748534,
title = {Materials Data on CsYC4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {CsYC4O9 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 3.18–3.47 Å. Y3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Y–O bond distances ranging from 2.40–2.49 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Y3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Y3+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Y3+, and one C+3.50+ atom.},
doi = {10.17188/1748534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}