U.S. Department of EnergyOffice of Scientific and Technical Information
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}
}