U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbYBeF6 by Materials Project
Abstract
RbBeYF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.33 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.28–2.42 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Be2+, and one Y3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+, one Be2+, and one Y3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Be2+, and one Y3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209088
- 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; RbYBeF6; Be-F-Rb-Y
- OSTI Identifier:
- 1685221
- DOI:
- https://doi.org/10.17188/1685221
Citation Formats
The Materials Project. Materials Data on RbYBeF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685221.
The Materials Project. Materials Data on RbYBeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1685221
The Materials Project. 2020.
"Materials Data on RbYBeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1685221. https://www.osti.gov/servlets/purl/1685221. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1685221,
title = {Materials Data on RbYBeF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBeYF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.33 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.28–2.42 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Be2+, and one Y3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+, one Be2+, and one Y3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Be2+, and one Y3+ atom.},
doi = {10.17188/1685221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}