Materials Data on Ba2Mn5O10 by Materials Project
Abstract
Ba2Mn5O10 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.34 Å. There are three inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Mn–O bond distances ranging from 1.92–2.20 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are two shorter (1.91 Å) and four longer (2.23 Å) Mn–O bond lengths. In the third Mn+3.20+ site, Mn+3.20+ 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 54–56°. There are a spread of Mn–O bond distances ranging from 1.91–2.21 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1214669
- 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; Ba2Mn5O10; Ba-Mn-O
- OSTI Identifier:
- 1676991
- DOI:
- https://doi.org/10.17188/1676991
Citation Formats
The Materials Project. Materials Data on Ba2Mn5O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676991.
The Materials Project. Materials Data on Ba2Mn5O10 by Materials Project. United States. doi:https://doi.org/10.17188/1676991
The Materials Project. 2020.
"Materials Data on Ba2Mn5O10 by Materials Project". United States. doi:https://doi.org/10.17188/1676991. https://www.osti.gov/servlets/purl/1676991. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676991,
title = {Materials Data on Ba2Mn5O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Mn5O10 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.34 Å. There are three inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Mn–O bond distances ranging from 1.92–2.20 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are two shorter (1.91 Å) and four longer (2.23 Å) Mn–O bond lengths. In the third Mn+3.20+ site, Mn+3.20+ 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 54–56°. There are a spread of Mn–O bond distances ranging from 1.91–2.21 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and three Mn+3.20+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Mn+3.20+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and three Mn+3.20+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Mn+3.20+ atoms.},
doi = {10.17188/1676991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}