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Title: Materials Data on Mn2V2O7 by Materials Project

Abstract

Mn2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.74–2.38 Å. Mn2+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 2.13–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent V5+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-19142
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Mn-O-V; Mn2V2O7; crystal structure
OSTI Identifier:
1193966
DOI:
https://doi.org/10.17188/1193966

Citation Formats

Materials Data on Mn2V2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193966.
Materials Data on Mn2V2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1193966
2020. "Materials Data on Mn2V2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1193966. https://www.osti.gov/servlets/purl/1193966. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1193966,
title = {Materials Data on Mn2V2O7 by Materials Project},
abstractNote = {Mn2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.74–2.38 Å. Mn2+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 2.13–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent V5+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1193966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}