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Title: Materials Data on RbNa3SnO4 by Materials Project

Abstract

RbNa3SnO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.51 Å. There are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with four equivalent SnO4 tetrahedra, and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.33–2.43 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–3.04 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with two equivalent SnO4 tetrahedra, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one SnO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.24–2.53 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six NaO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. Theremore » is three shorter (1.99 Å) and one longer (2.00 Å) Sn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Rb1+, four Na1+, and one Sn4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-556968
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; RbNa3SnO4; Na-O-Rb-Sn
OSTI Identifier:
1269631
DOI:
10.17188/1269631

Citation Formats

The Materials Project. Materials Data on RbNa3SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269631.
The Materials Project. Materials Data on RbNa3SnO4 by Materials Project. United States. doi:10.17188/1269631.
The Materials Project. 2020. "Materials Data on RbNa3SnO4 by Materials Project". United States. doi:10.17188/1269631. https://www.osti.gov/servlets/purl/1269631. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269631,
title = {Materials Data on RbNa3SnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNa3SnO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.51 Å. There are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with four equivalent SnO4 tetrahedra, and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.33–2.43 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–3.04 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with two equivalent SnO4 tetrahedra, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one SnO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.24–2.53 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six NaO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. There is three shorter (1.99 Å) and one longer (2.00 Å) Sn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Rb1+, four Na1+, and one Sn4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, three Na1+, and one Sn4+ atom.},
doi = {10.17188/1269631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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