U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiBiO3 by Materials Project
Abstract
BiNiO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are a spread of Ni–O bond distances ranging from 1.91–2.01 Å. Bi3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-998363
- 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; NiBiO3; Bi-Ni-O
- OSTI Identifier:
- 1317312
- DOI:
- https://doi.org/10.17188/1317312
Citation Formats
The Materials Project. Materials Data on NiBiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317312.
The Materials Project. Materials Data on NiBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1317312
The Materials Project. 2020.
"Materials Data on NiBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1317312. https://www.osti.gov/servlets/purl/1317312. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1317312,
title = {Materials Data on NiBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiNiO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are a spread of Ni–O bond distances ranging from 1.91–2.01 Å. Bi3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ni3+ and three equivalent Bi3+ atoms.},
doi = {10.17188/1317312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}