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Title: Materials Data on Sr2Co2O5 by Materials Project

Abstract

Sr2Co2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.84 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.01 Å. In the second Co3+ site, Co3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+more » and one Co3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690516
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; Sr2Co2O5; Co-O-Sr
OSTI Identifier:
1284505
DOI:
10.17188/1284505

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2Co2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284505.
Persson, Kristin, & Project, Materials. Materials Data on Sr2Co2O5 by Materials Project. United States. doi:10.17188/1284505.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2Co2O5 by Materials Project". United States. doi:10.17188/1284505. https://www.osti.gov/servlets/purl/1284505. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1284505,
title = {Materials Data on Sr2Co2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2Co2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.84 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.01 Å. In the second Co3+ site, Co3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Co3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms.},
doi = {10.17188/1284505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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