U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbMnBr3 by Materials Project
Abstract
RbMnBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.68–3.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. In the second Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-568231
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Mn-Rb; RbMnBr3; crystal structure
- OSTI Identifier:
- 1274321
- DOI:
- https://doi.org/10.17188/1274321
Citation Formats
Materials Data on RbMnBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274321.
Materials Data on RbMnBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1274321
2020.
"Materials Data on RbMnBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1274321. https://www.osti.gov/servlets/purl/1274321. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1274321,
title = {Materials Data on RbMnBr3 by Materials Project},
abstractNote = {RbMnBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.68–3.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. In the second Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1274321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}