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Title: Materials Data on MgVBiO6 by Materials Project

Abstract

MgVBiO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of V–O bond distances ranging from 1.69–1.90 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-14113
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgVBiO6; Bi-Mg-O-V
OSTI Identifier:
1319045
DOI:
https://doi.org/10.17188/1319045

Citation Formats

The Materials Project. Materials Data on MgVBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319045.
The Materials Project. Materials Data on MgVBiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1319045
The Materials Project. 2020. "Materials Data on MgVBiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1319045. https://www.osti.gov/servlets/purl/1319045. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319045,
title = {Materials Data on MgVBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgVBiO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of V–O bond distances ranging from 1.69–1.90 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms.},
doi = {10.17188/1319045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}