Materials Data on NbBiO4 by Materials Project
Abstract
BiNbO4 is Brookite-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Nb–O bond distances ranging from 1.88–2.25 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nb5+ and one Bi3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-23413
- 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; NbBiO4; Bi-Nb-O
- OSTI Identifier:
- 1199493
- DOI:
- https://doi.org/10.17188/1199493
Citation Formats
The Materials Project. Materials Data on NbBiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199493.
The Materials Project. Materials Data on NbBiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1199493
The Materials Project. 2020.
"Materials Data on NbBiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1199493. https://www.osti.gov/servlets/purl/1199493. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199493,
title = {Materials Data on NbBiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {BiNbO4 is Brookite-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Nb–O bond distances ranging from 1.88–2.25 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nb5+ and one Bi3+ atom.},
doi = {10.17188/1199493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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