U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2ZnO4 by Materials Project
Abstract
ZnMn2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.97–2.11 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.93–2.17 Å. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.21–2.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form amore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12116
- 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; Mn2ZnO4; Mn-O-Zn
- OSTI Identifier:
- 1318443
- DOI:
- https://doi.org/10.17188/1318443
Citation Formats
The Materials Project. Materials Data on Mn2ZnO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318443.
The Materials Project. Materials Data on Mn2ZnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1318443
The Materials Project. 2020.
"Materials Data on Mn2ZnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1318443. https://www.osti.gov/servlets/purl/1318443. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1318443,
title = {Materials Data on Mn2ZnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnMn2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.97–2.11 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.93–2.17 Å. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.21–2.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1318443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}