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Title: Materials Data on Y(CoO2)2 by Materials Project

Abstract

Y(CoO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.42 Å) Y–O bond lengths. There are two inequivalent Co+2.50+ sites. In the first Co+2.50+ site, Co+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.92 Å) Co–O bond length. In the second Co+2.50+ site, Co+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.92 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Co+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Co2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Co+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Co2 tetrahedra.

Publication Date:
Other Number(s):
mvc-4610
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y(CoO2)2; Co-O-Y
OSTI Identifier:
1321085
DOI:
https://doi.org/10.17188/1321085

Citation Formats

The Materials Project. Materials Data on Y(CoO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321085.
The Materials Project. Materials Data on Y(CoO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1321085
The Materials Project. 2020. "Materials Data on Y(CoO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1321085. https://www.osti.gov/servlets/purl/1321085. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1321085,
title = {Materials Data on Y(CoO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CoO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.42 Å) Y–O bond lengths. There are two inequivalent Co+2.50+ sites. In the first Co+2.50+ site, Co+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.92 Å) Co–O bond length. In the second Co+2.50+ site, Co+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.92 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Co+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Co2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Co+2.50+ atoms to form a mixture of distorted edge and corner-sharing OY2Co2 tetrahedra.},
doi = {10.17188/1321085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}