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Title: Materials Data on RbNaSnF6 by Materials Project

Abstract

RbNaSnF6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.89–3.15 Å. In the second 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 3.03–3.30 Å. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent SnF6 octahedra and an edgeedge with one SnF6 octahedra. The corner-sharing octahedra tilt angles range from 29–49°. There are a spread of Na–F bond distances ranging from 2.23–2.49 Å. Sn4+ is bonded to six F1- atoms to form SnF6 octahedra that share corners with four equivalent NaF6 octahedra and an edgeedge with one NaF6 octahedra. The corner-sharing octahedra tilt angles range from 29–49°. There are a spread of Sn–F bond distances ranging from 2.00–2.03 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the second F1-more » site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-8333
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; RbNaSnF6; F-Na-Rb-Sn
OSTI Identifier:
1308041
DOI:
https://doi.org/10.17188/1308041

Citation Formats

The Materials Project. Materials Data on RbNaSnF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308041.
The Materials Project. Materials Data on RbNaSnF6 by Materials Project. United States. doi:https://doi.org/10.17188/1308041
The Materials Project. 2020. "Materials Data on RbNaSnF6 by Materials Project". United States. doi:https://doi.org/10.17188/1308041. https://www.osti.gov/servlets/purl/1308041. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1308041,
title = {Materials Data on RbNaSnF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNaSnF6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.89–3.15 Å. In the second 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 3.03–3.30 Å. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent SnF6 octahedra and an edgeedge with one SnF6 octahedra. The corner-sharing octahedra tilt angles range from 29–49°. There are a spread of Na–F bond distances ranging from 2.23–2.49 Å. Sn4+ is bonded to six F1- atoms to form SnF6 octahedra that share corners with four equivalent NaF6 octahedra and an edgeedge with one NaF6 octahedra. The corner-sharing octahedra tilt angles range from 29–49°. There are a spread of Sn–F bond distances ranging from 2.00–2.03 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Na1+, and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Rb1+, one Na1+, and one Sn4+ atom.},
doi = {10.17188/1308041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}