DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MnSeO4 by Materials Project

Abstract

MnSeO4 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of two MnSeO4 sheets oriented in the (0, 1, 0) direction. Mn2+ is bonded to six O2- atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mn–O bond distances ranging from 1.75–2.25 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.77 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one Se6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1101913
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; MnSeO4; Mn-O-Se
OSTI Identifier:
1680357
DOI:
https://doi.org/10.17188/1680357

Citation Formats

The Materials Project. Materials Data on MnSeO4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1680357.
The Materials Project. Materials Data on MnSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1680357
The Materials Project. 2018. "Materials Data on MnSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1680357. https://www.osti.gov/servlets/purl/1680357. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1680357,
title = {Materials Data on MnSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSeO4 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of two MnSeO4 sheets oriented in the (0, 1, 0) direction. Mn2+ is bonded to six O2- atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mn–O bond distances ranging from 1.75–2.25 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.77 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one Se6+ atom.},
doi = {10.17188/1680357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}