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Title: Materials Data on Rb3SiF7 by Materials Project

Abstract

Rb3SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.86–3.07 Å. In the second Rb1+ site, Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. There are two shorter (2.95 Å) and four longer (3.09 Å) Rb–F bond lengths. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent RbF6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Si–F bond lengths are 1.72 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Si4+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four Rb1+ andmore » one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-12243
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3SiF7; F-Rb-Si
OSTI Identifier:
1188665
DOI:
https://doi.org/10.17188/1188665

Citation Formats

The Materials Project. Materials Data on Rb3SiF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188665.
The Materials Project. Materials Data on Rb3SiF7 by Materials Project. United States. doi:https://doi.org/10.17188/1188665
The Materials Project. 2020. "Materials Data on Rb3SiF7 by Materials Project". United States. doi:https://doi.org/10.17188/1188665. https://www.osti.gov/servlets/purl/1188665. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1188665,
title = {Materials Data on Rb3SiF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.86–3.07 Å. In the second Rb1+ site, Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. There are two shorter (2.95 Å) and four longer (3.09 Å) Rb–F bond lengths. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent RbF6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Si–F bond lengths are 1.72 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Si4+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four Rb1+ and one Si4+ atom.},
doi = {10.17188/1188665},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}