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Title: Materials Data on Mn2VPO7 by Materials Project

Abstract

VMn2PO7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent MnO6 pentagonal pyramids and a cornercorner with one PO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.80 Å) V–O bond length. Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent VO4 tetrahedra, corners with three equivalent PO4 tetrahedra, and edges with three equivalent MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 2.10–2.37 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent MnO6 pentagonal pyramids and a cornercorner with one VO4 tetrahedra. There is three shorter (1.55 Å) and one longer (1.58 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinatemore » geometry to two equivalent Mn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn2+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one V5+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1210613
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; Mn2VPO7; Mn-O-P-V
OSTI Identifier:
1707188
DOI:
https://doi.org/10.17188/1707188

Citation Formats

The Materials Project. Materials Data on Mn2VPO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707188.
The Materials Project. Materials Data on Mn2VPO7 by Materials Project. United States. doi:https://doi.org/10.17188/1707188
The Materials Project. 2020. "Materials Data on Mn2VPO7 by Materials Project". United States. doi:https://doi.org/10.17188/1707188. https://www.osti.gov/servlets/purl/1707188. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707188,
title = {Materials Data on Mn2VPO7 by Materials Project},
author = {The Materials Project},
abstractNote = {VMn2PO7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent MnO6 pentagonal pyramids and a cornercorner with one PO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.80 Å) V–O bond length. Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent VO4 tetrahedra, corners with three equivalent PO4 tetrahedra, and edges with three equivalent MnO6 pentagonal pyramids. There are a spread of Mn–O bond distances ranging from 2.10–2.37 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent MnO6 pentagonal pyramids and a cornercorner with one VO4 tetrahedra. There is three shorter (1.55 Å) and one longer (1.58 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn2+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one V5+ and one P5+ atom.},
doi = {10.17188/1707188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}