Materials Data on RbMgF3 by Materials Project
Abstract
RbMgF3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.50 Å) and three longer (2.99 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to six equivalent F1- atoms. All Rb–F bond lengths are 2.87 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three equivalent F1- atoms. All Mg–F bond lengths are 1.96 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Mg–F bond lengths are 2.02 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mg2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-559523
- 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; RbMgF3; F-Mg-Rb
- OSTI Identifier:
- 1270900
- DOI:
- https://doi.org/10.17188/1270900
Citation Formats
The Materials Project. Materials Data on RbMgF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270900.
The Materials Project. Materials Data on RbMgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1270900
The Materials Project. 2020.
"Materials Data on RbMgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1270900. https://www.osti.gov/servlets/purl/1270900. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1270900,
title = {Materials Data on RbMgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbMgF3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.50 Å) and three longer (2.99 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to six equivalent F1- atoms. All Rb–F bond lengths are 2.87 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three equivalent F1- atoms. All Mg–F bond lengths are 1.96 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Mg–F bond lengths are 2.02 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mg2+ atom.},
doi = {10.17188/1270900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}