U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3Mn2BO6 by Materials Project
Abstract
Na3Mn2BO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with four equivalent MnO5 square pyramids, edges with two equivalent NaO6 octahedra, edges with four equivalent NaO5 square pyramids, and edges with six equivalent MnO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.44 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with five equivalent MnO5 square pyramids, edges with two equivalent NaO6 octahedra, an edgeedge with one MnO5 square pyramid, and edges with two equivalent NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.30–2.52 Å. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with two equivalent NaO6 octahedra, corners with five equivalent NaO5 square pyramids, edges with three equivalent NaO6 octahedra, an edgeedge with one NaO5 square pyramid, and edges with four equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Mn–O bond distancesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221286
- 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; Na3Mn2BO6; B-Mn-Na-O
- OSTI Identifier:
- 1721918
- DOI:
- https://doi.org/10.17188/1721918
Citation Formats
The Materials Project. Materials Data on Na3Mn2BO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721918.
The Materials Project. Materials Data on Na3Mn2BO6 by Materials Project. United States. doi:https://doi.org/10.17188/1721918
The Materials Project. 2020.
"Materials Data on Na3Mn2BO6 by Materials Project". United States. doi:https://doi.org/10.17188/1721918. https://www.osti.gov/servlets/purl/1721918. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1721918,
title = {Materials Data on Na3Mn2BO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Mn2BO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with four equivalent MnO5 square pyramids, edges with two equivalent NaO6 octahedra, edges with four equivalent NaO5 square pyramids, and edges with six equivalent MnO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.37–2.44 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with five equivalent MnO5 square pyramids, edges with two equivalent NaO6 octahedra, an edgeedge with one MnO5 square pyramid, and edges with two equivalent NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.30–2.52 Å. Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with two equivalent NaO6 octahedra, corners with five equivalent NaO5 square pyramids, edges with three equivalent NaO6 octahedra, an edgeedge with one NaO5 square pyramid, and edges with four equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Mn–O bond distances ranging from 1.95–2.45 Å. B3+ is bonded in a linear geometry to two equivalent O2- atoms. Both B–O bond lengths are 1.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and two equivalent Mn3+ atoms to form ONa3Mn2 square pyramids that share corners with two equivalent ONa3Mn3 octahedra, a cornercorner with one ONa3Mn2 square pyramid, edges with five equivalent ONa3Mn3 octahedra, and edges with two equivalent ONa3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded to three Na1+ and three equivalent Mn3+ atoms to form distorted ONa3Mn3 octahedra that share corners with two equivalent ONa3Mn3 octahedra, corners with two equivalent ONa3Mn2 square pyramids, edges with five equivalent ONa3Mn3 octahedra, and edges with five equivalent ONa3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one B3+ atom.},
doi = {10.17188/1721918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}