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Title: Materials Data on CsRb2SiF7 by Materials Project

Abstract

CsRb2SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded to six F1- atoms to form distorted CsF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. There are two shorter (2.98 Å) and four longer (3.15 Å) Cs–F bond lengths. Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.92–3.12 Å. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 68°. There is two shorter (1.72 Å) and four longer (1.73 Å) Si–F bond length. 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 two equivalent Cs1+ and four equivalent Rb1+ atoms to form corner-sharing FCs2Rb4 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 two equivalent Cs1+, two equivalent Rb1+,more » and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-7380
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; CsRb2SiF7; Cs-F-Rb-Si
OSTI Identifier:
1287878
DOI:
10.17188/1287878

Citation Formats

The Materials Project. Materials Data on CsRb2SiF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287878.
The Materials Project. Materials Data on CsRb2SiF7 by Materials Project. United States. doi:10.17188/1287878.
The Materials Project. 2020. "Materials Data on CsRb2SiF7 by Materials Project". United States. doi:10.17188/1287878. https://www.osti.gov/servlets/purl/1287878. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287878,
title = {Materials Data on CsRb2SiF7 by Materials Project},
author = {The Materials Project},
abstractNote = {CsRb2SiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded to six F1- atoms to form distorted CsF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. There are two shorter (2.98 Å) and four longer (3.15 Å) Cs–F bond lengths. Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.92–3.12 Å. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 68°. There is two shorter (1.72 Å) and four longer (1.73 Å) Si–F bond length. 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 two equivalent Cs1+ and four equivalent Rb1+ atoms to form corner-sharing FCs2Rb4 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 two equivalent Cs1+, two equivalent Rb1+, and one Si4+ atom.},
doi = {10.17188/1287878},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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