U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2Zn2O5 by Materials Project
Abstract
Mn2Zn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form distorted corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.88–2.08 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mn3+ and four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OMn2Zn2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn2Zn2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mvc-3981
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mn-O-Zn; Mn2Zn2O5; crystal structure
- OSTI Identifier:
- 1320805
- DOI:
- https://doi.org/10.17188/1320805
Citation Formats
Materials Data on Mn2Zn2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320805.
Materials Data on Mn2Zn2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320805
2020.
"Materials Data on Mn2Zn2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320805. https://www.osti.gov/servlets/purl/1320805. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1320805,
title = {Materials Data on Mn2Zn2O5 by Materials Project},
abstractNote = {Mn2Zn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form distorted corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.88–2.08 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mn3+ and four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OMn2Zn2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn2Zn2 trigonal pyramids.},
doi = {10.17188/1320805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}