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Title: Materials Data on RbSO4F by Materials Project

Abstract

RbSO4F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 11-coordinate geometry to nine O and two equivalent F atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.39 Å. There are one shorter (3.14 Å) and one longer (3.28 Å) Rb–F bond lengths. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.68 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three equivalent Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one Rb, one S, and one F atom. The O–F bond length is 1.50 Å. F is bonded in a distorted single-bond geometry to two equivalent Rb and one O atom.

Publication Date:
Other Number(s):
mp-557001
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; RbSO4F; F-O-Rb-S
OSTI Identifier:
1269645
DOI:
10.17188/1269645

Citation Formats

The Materials Project. Materials Data on RbSO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269645.
The Materials Project. Materials Data on RbSO4F by Materials Project. United States. doi:10.17188/1269645.
The Materials Project. 2020. "Materials Data on RbSO4F by Materials Project". United States. doi:10.17188/1269645. https://www.osti.gov/servlets/purl/1269645. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269645,
title = {Materials Data on RbSO4F by Materials Project},
author = {The Materials Project},
abstractNote = {RbSO4F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 11-coordinate geometry to nine O and two equivalent F atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.39 Å. There are one shorter (3.14 Å) and one longer (3.28 Å) Rb–F bond lengths. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.68 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three equivalent Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one Rb, one S, and one F atom. The O–F bond length is 1.50 Å. F is bonded in a distorted single-bond geometry to two equivalent Rb and one O atom.},
doi = {10.17188/1269645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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