U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn7SiO12 by Materials Project
Abstract
Mn7SiO12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Mn+2.86+ sites. In the first Mn+2.86+ site, Mn+2.86+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.90–2.36 Å. In the second Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent MnO6 octahedra, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Mn–O bond distances ranging from 2.10–2.20 Å. In the third Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with two equivalent MnO6 pentagonal pyramids, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.30 Å. In the fourth Mn+2.86+ site, Mn+2.86+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.88 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181135
- 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; Mn7SiO12; Mn-O-Si
- OSTI Identifier:
- 1674019
- DOI:
- https://doi.org/10.17188/1674019
Citation Formats
The Materials Project. Materials Data on Mn7SiO12 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674019.
The Materials Project. Materials Data on Mn7SiO12 by Materials Project. United States. doi:https://doi.org/10.17188/1674019
The Materials Project. 2019.
"Materials Data on Mn7SiO12 by Materials Project". United States. doi:https://doi.org/10.17188/1674019. https://www.osti.gov/servlets/purl/1674019. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1674019,
title = {Materials Data on Mn7SiO12 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn7SiO12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Mn+2.86+ sites. In the first Mn+2.86+ site, Mn+2.86+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.90–2.36 Å. In the second Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent MnO6 octahedra, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Mn–O bond distances ranging from 2.10–2.20 Å. In the third Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with two equivalent MnO6 pentagonal pyramids, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.30 Å. In the fourth Mn+2.86+ site, Mn+2.86+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.88 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6 octahedra and corners with four equivalent MnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Si–O bond lengths are 1.73 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+2.86+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+2.86+ and one Si4+ atom. In the third O2- site, O2- is bonded to four Mn+2.86+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids.},
doi = {10.17188/1674019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}