U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2Ni(BiO3)3 by Materials Project
Abstract
Mn2Ni(BiO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–31°. There are a spread of Mn–O bond distances ranging from 1.93–2.03 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Ni–O bond distances ranging from 2.03–2.11 Å. There are two inequivalent Bi3+ sites. In the first 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 2.36–2.90 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.37–2.85 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Mn+2.50+, one Ni4+, and two equivalent Bi3+ atoms. In the second O2- site, O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221980
- 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; Mn2Ni(BiO3)3; Bi-Mn-Ni-O
- OSTI Identifier:
- 1728233
- DOI:
- https://doi.org/10.17188/1728233
Citation Formats
The Materials Project. Materials Data on Mn2Ni(BiO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728233.
The Materials Project. Materials Data on Mn2Ni(BiO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1728233
The Materials Project. 2020.
"Materials Data on Mn2Ni(BiO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1728233. https://www.osti.gov/servlets/purl/1728233. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1728233,
title = {Materials Data on Mn2Ni(BiO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2Ni(BiO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–31°. There are a spread of Mn–O bond distances ranging from 1.93–2.03 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 25–29°. There are a spread of Ni–O bond distances ranging from 2.03–2.11 Å. There are two inequivalent Bi3+ sites. In the first 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 2.36–2.90 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.37–2.85 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Mn+2.50+, one Ni4+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mn+2.50+, one Ni4+, and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn+2.50+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mn+2.50+, one Ni4+, and two Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn+2.50+ and two Bi3+ atoms.},
doi = {10.17188/1728233},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}