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Title: Materials Data on RbSbS(O2F)2 by Materials Project

Abstract

RbSbS(O2F)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to six O2- and five F1- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.53 Å. There are a spread of Rb–F bond distances ranging from 2.92–3.35 Å. Sb3+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of Sb–O bond distances ranging from 2.20–2.70 Å. There is one shorter (1.97 Å) and one longer (1.99 Å) Sb–F bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Sb3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sb3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Sb3+,more » and one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-554732
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; RbSbS(O2F)2; F-O-Rb-S-Sb
OSTI Identifier:
1268067
DOI:
10.17188/1268067

Citation Formats

The Materials Project. Materials Data on RbSbS(O2F)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268067.
The Materials Project. Materials Data on RbSbS(O2F)2 by Materials Project. United States. doi:10.17188/1268067.
The Materials Project. 2020. "Materials Data on RbSbS(O2F)2 by Materials Project". United States. doi:10.17188/1268067. https://www.osti.gov/servlets/purl/1268067. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1268067,
title = {Materials Data on RbSbS(O2F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSbS(O2F)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to six O2- and five F1- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.53 Å. There are a spread of Rb–F bond distances ranging from 2.92–3.35 Å. Sb3+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of Sb–O bond distances ranging from 2.20–2.70 Å. There is one shorter (1.97 Å) and one longer (1.99 Å) Sb–F bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Sb3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sb3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Sb3+, and one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Sb3+ atom.},
doi = {10.17188/1268067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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