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Title: Materials Data on MgNb2O6 by Materials Project

Abstract

MgNb2O6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.09–2.15 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.83–2.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-17953
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; MgNb2O6; Mg-Nb-O
OSTI Identifier:
1192795
DOI:
https://doi.org/10.17188/1192795

Citation Formats

The Materials Project. Materials Data on MgNb2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192795.
The Materials Project. Materials Data on MgNb2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1192795
The Materials Project. 2020. "Materials Data on MgNb2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1192795. https://www.osti.gov/servlets/purl/1192795. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1192795,
title = {Materials Data on MgNb2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgNb2O6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.09–2.15 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.83–2.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1192795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}