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

Title: Materials Data on MnWO4 by Materials Project

Abstract

MnWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of W–O bond distances ranging from 1.84–2.13 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are four shorter (2.17 Å) and two longer (2.28 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Mn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-19407
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; MnWO4; Mn-O-W
OSTI Identifier:
1194417
DOI:
https://doi.org/10.17188/1194417

Citation Formats

The Materials Project. Materials Data on MnWO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194417.
The Materials Project. Materials Data on MnWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194417
The Materials Project. 2020. "Materials Data on MnWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194417. https://www.osti.gov/servlets/purl/1194417. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1194417,
title = {Materials Data on MnWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of W–O bond distances ranging from 1.84–2.13 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are four shorter (2.17 Å) and two longer (2.28 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1194417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}