U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrMn2O6 by Materials Project
Abstract
PrMn2O6 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.97 Å. Mn+4.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Mn–O bond distances ranging from 1.87–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-14396
- 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; PrMn2O6; Mn-O-Pr
- OSTI Identifier:
- 1319129
- DOI:
- https://doi.org/10.17188/1319129
Citation Formats
The Materials Project. Materials Data on PrMn2O6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319129.
The Materials Project. Materials Data on PrMn2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1319129
The Materials Project. 2020.
"Materials Data on PrMn2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1319129. https://www.osti.gov/servlets/purl/1319129. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319129,
title = {Materials Data on PrMn2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {PrMn2O6 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.97 Å. Mn+4.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Mn–O bond distances ranging from 1.87–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Pr3+ and two equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Pr3+ and two equivalent Mn+4.50+ atoms.},
doi = {10.17188/1319129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}