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Title: Materials Data on CaMn2O5 by Materials Project

Abstract

CaMn2O5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–2.68 Å. Mn4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.74–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and three equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Mn4+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-12542
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; CaMn2O5; Ca-Mn-O
OSTI Identifier:
1318556
DOI:
https://doi.org/10.17188/1318556

Citation Formats

The Materials Project. Materials Data on CaMn2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318556.
The Materials Project. Materials Data on CaMn2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1318556
The Materials Project. 2020. "Materials Data on CaMn2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1318556. https://www.osti.gov/servlets/purl/1318556. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318556,
title = {Materials Data on CaMn2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMn2O5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–2.68 Å. Mn4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.74–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and three equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and one Mn4+ atom.},
doi = {10.17188/1318556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}