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Title: Materials Data on MnV2O8 by Materials Project

Abstract

V2MnO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V+4.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–31°. There are a spread of V–O bond distances ranging from 1.68–1.81 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent VO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.70–1.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.50+ and one Mn7+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one V+4.50+ and one Mn7+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V+4.50+ atoms.

Publication Date:
Other Number(s):
mp-1203804
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnV2O8; Mn-O-V
OSTI Identifier:
1656406
DOI:
https://doi.org/10.17188/1656406

Citation Formats

The Materials Project. Materials Data on MnV2O8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656406.
The Materials Project. Materials Data on MnV2O8 by Materials Project. United States. doi:https://doi.org/10.17188/1656406
The Materials Project. 2019. "Materials Data on MnV2O8 by Materials Project". United States. doi:https://doi.org/10.17188/1656406. https://www.osti.gov/servlets/purl/1656406. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656406,
title = {Materials Data on MnV2O8 by Materials Project},
author = {The Materials Project},
abstractNote = {V2MnO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V+4.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–31°. There are a spread of V–O bond distances ranging from 1.68–1.81 Å. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent VO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.70–1.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.50+ and one Mn7+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one V+4.50+ and one Mn7+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V+4.50+ atoms.},
doi = {10.17188/1656406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}