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Title: Materials Data on NbBO4 by Materials Project

Abstract

NbBO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nb5+ is bonded to eight equivalent O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent BO4 tetrahedra, edges with four equivalent NbO8 hexagonal bipyramids, and edges with two equivalent BO4 tetrahedra. There are four shorter (2.09 Å) and four longer (2.12 Å) Nb–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent NbO8 hexagonal bipyramids and edges with two equivalent NbO8 hexagonal bipyramids. All B–O bond lengths are 1.48 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nb5+ and one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-8615
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; NbBO4; B-Nb-O
OSTI Identifier:
1309194
DOI:
https://doi.org/10.17188/1309194

Citation Formats

The Materials Project. Materials Data on NbBO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309194.
The Materials Project. Materials Data on NbBO4 by Materials Project. United States. doi:https://doi.org/10.17188/1309194
The Materials Project. 2020. "Materials Data on NbBO4 by Materials Project". United States. doi:https://doi.org/10.17188/1309194. https://www.osti.gov/servlets/purl/1309194. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1309194,
title = {Materials Data on NbBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbBO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nb5+ is bonded to eight equivalent O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent BO4 tetrahedra, edges with four equivalent NbO8 hexagonal bipyramids, and edges with two equivalent BO4 tetrahedra. There are four shorter (2.09 Å) and four longer (2.12 Å) Nb–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent NbO8 hexagonal bipyramids and edges with two equivalent NbO8 hexagonal bipyramids. All B–O bond lengths are 1.48 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nb5+ and one B3+ atom.},
doi = {10.17188/1309194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}