U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbBi3O7 by Materials Project
Abstract
Bi3NbO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.99–2.25 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 trigonal bipyramids that share corners with three equivalent BiO7 hexagonal pyramids and corners with six equivalent BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.24–2.44 Å. In the second Bi3+ site, Bi3+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three equivalent BiO5 trigonal bipyramids and edges with six equivalent BiO7 hexagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.41–2.57 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.41–2.49 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to one Nb5+ and three equivalent Bi3+ atoms to form distorted ONbBi3 tetrahedra that share corners with ten ONbBi3 tetrahedra and edges with threemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-34036
- 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; NbBi3O7; Bi-Nb-O
- OSTI Identifier:
- 1206703
- DOI:
- https://doi.org/10.17188/1206703
Citation Formats
The Materials Project. Materials Data on NbBi3O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206703.
The Materials Project. Materials Data on NbBi3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1206703
The Materials Project. 2020.
"Materials Data on NbBi3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1206703. https://www.osti.gov/servlets/purl/1206703. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1206703,
title = {Materials Data on NbBi3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi3NbO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.99–2.25 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form BiO5 trigonal bipyramids that share corners with three equivalent BiO7 hexagonal pyramids and corners with six equivalent BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.24–2.44 Å. In the second Bi3+ site, Bi3+ is bonded to seven O2- atoms to form distorted BiO7 hexagonal pyramids that share corners with three equivalent BiO5 trigonal bipyramids and edges with six equivalent BiO7 hexagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.41–2.57 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.41–2.49 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to one Nb5+ and three equivalent Bi3+ atoms to form distorted ONbBi3 tetrahedra that share corners with ten ONbBi3 tetrahedra and edges with three equivalent OBi4 tetrahedra. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nb5+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nb5+ and one Bi3+ atom. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with ten OBi4 tetrahedra and edges with three equivalent ONbBi3 tetrahedra. In the sixth O2- site, O2- is bonded to one Nb5+ and three equivalent Bi3+ atoms to form distorted ONbBi3 tetrahedra that share corners with ten ONbBi3 tetrahedra and edges with three equivalent OBi4 tetrahedra. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms.},
doi = {10.17188/1206703},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}