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Title: Materials Data on Rb4SnO4 by Materials Project

Abstract

Rb4SnO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.31 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent SnO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, and edges with two equivalent RbO4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.84 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with two equivalent RbO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, an edgeedge with one SnO4 tetrahedra, and edges with two equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.81–3.04 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.13 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners withmore » four equivalent RbO4 tetrahedra, corners with three equivalent RbO5 trigonal bipyramids, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Sn–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Sn4+ atom. In the second O2- site, O2- is bonded to five Rb1+ and one Sn4+ atom to form distorted edge-sharing ORb5Sn octahedra. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7118
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; Rb4SnO4; O-Rb-Sn
OSTI Identifier:
1286612
DOI:
10.17188/1286612

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb4SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286612.
Persson, Kristin, & Project, Materials. Materials Data on Rb4SnO4 by Materials Project. United States. doi:10.17188/1286612.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb4SnO4 by Materials Project". United States. doi:10.17188/1286612. https://www.osti.gov/servlets/purl/1286612. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286612,
title = {Materials Data on Rb4SnO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb4SnO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.31 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent SnO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, and edges with two equivalent RbO4 tetrahedra. There are two shorter (2.81 Å) and two longer (2.84 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with two equivalent RbO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, an edgeedge with one SnO4 tetrahedra, and edges with two equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.81–3.04 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.13 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with four equivalent RbO4 tetrahedra, corners with three equivalent RbO5 trigonal bipyramids, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Sn–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Sn4+ atom. In the second O2- site, O2- is bonded to five Rb1+ and one Sn4+ atom to form distorted edge-sharing ORb5Sn octahedra. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn4+ atom.},
doi = {10.17188/1286612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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