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Title: Materials Data on Zn2Co3O8 by Materials Project

Abstract

Co3Zn2O8 is Pyrite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There is four shorter (1.87 Å) and two longer (1.92 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–1.92 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Co4+ and one Zn2+ atom. In the third O2- site, O2- is bonded to two Co4+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mvc-14025
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; Zn2Co3O8; Co-O-Zn
OSTI Identifier:
1319022
DOI:
https://doi.org/10.17188/1319022

Citation Formats

The Materials Project. Materials Data on Zn2Co3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319022.
The Materials Project. Materials Data on Zn2Co3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1319022
The Materials Project. 2020. "Materials Data on Zn2Co3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1319022. https://www.osti.gov/servlets/purl/1319022. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1319022,
title = {Materials Data on Zn2Co3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Zn2O8 is Pyrite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There is four shorter (1.87 Å) and two longer (1.92 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–1.92 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Co4+ and one Zn2+ atom. In the third O2- site, O2- is bonded to two Co4+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Co2 tetrahedra.},
doi = {10.17188/1319022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}