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Title: Materials Data on Mn2V3NiO8 by Materials Project

Abstract

V3Mn2NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent VO6 octahedra. There are four shorter (2.03 Å) and two longer (2.05 Å) V–O bond lengths. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with three equivalent NiO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. There are three shorter (2.05 Å) and one longer (2.09 Å) Mn–O bond lengths. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO4 tetrahedra and edges with six equivalent VO6 octahedra. All Ni–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent V+3.33+ and one Mn2+ atom to form distorted corner-sharing OMnV3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent V+3.33+, one Mn2+, and one Ni2+ atom.

Publication Date:
Other Number(s):
mp-1221946
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; Mn2V3NiO8; Mn-Ni-O-V
OSTI Identifier:
1743996
DOI:
https://doi.org/10.17188/1743996

Citation Formats

The Materials Project. Materials Data on Mn2V3NiO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743996.
The Materials Project. Materials Data on Mn2V3NiO8 by Materials Project. United States. doi:https://doi.org/10.17188/1743996
The Materials Project. 2020. "Materials Data on Mn2V3NiO8 by Materials Project". United States. doi:https://doi.org/10.17188/1743996. https://www.osti.gov/servlets/purl/1743996. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743996,
title = {Materials Data on Mn2V3NiO8 by Materials Project},
author = {The Materials Project},
abstractNote = {V3Mn2NiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent VO6 octahedra. There are four shorter (2.03 Å) and two longer (2.05 Å) V–O bond lengths. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with three equivalent NiO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. There are three shorter (2.05 Å) and one longer (2.09 Å) Mn–O bond lengths. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO4 tetrahedra and edges with six equivalent VO6 octahedra. All Ni–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent V+3.33+ and one Mn2+ atom to form distorted corner-sharing OMnV3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent V+3.33+, one Mn2+, and one Ni2+ atom.},
doi = {10.17188/1743996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}