skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb4Sn(SeO)4 by Materials Project

Abstract

Rb4Sn(SeO)4 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 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–2.94 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–2.98 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.15 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.22 Å. Sn4+ is bonded in a tetrahedral geometry to four Se atoms. There are a spread of Sn–Se bond distances ranging from 2.51–2.71 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Sn4+ and one O2- atom. The Se–O bond length is 2.05 Å. In the second Se site, Se is bonded in a distorted single-bond geometry to onemore » Sn4+ and one O2- atom. The Se–O bond length is 1.79 Å. In the third Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ and one O2- atom. The Se–O bond length is 1.77 Å. In the fourth Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Se, and one O2- atom. The O–O bond length is 1.44 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one Se atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Se atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one O2- atom.« less

Publication Date:
Other Number(s):
mp-1220490
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; Rb4Sn(SeO)4; O-Rb-Se-Sn
OSTI Identifier:
1709160
DOI:
https://doi.org/10.17188/1709160

Citation Formats

The Materials Project. Materials Data on Rb4Sn(SeO)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1709160.
The Materials Project. Materials Data on Rb4Sn(SeO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1709160
The Materials Project. 2019. "Materials Data on Rb4Sn(SeO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1709160. https://www.osti.gov/servlets/purl/1709160. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1709160,
title = {Materials Data on Rb4Sn(SeO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4Sn(SeO)4 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 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–2.94 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–2.98 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.15 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.22 Å. Sn4+ is bonded in a tetrahedral geometry to four Se atoms. There are a spread of Sn–Se bond distances ranging from 2.51–2.71 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Sn4+ and one O2- atom. The Se–O bond length is 2.05 Å. In the second Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ and one O2- atom. The Se–O bond length is 1.79 Å. In the third Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ and one O2- atom. The Se–O bond length is 1.77 Å. In the fourth Se site, Se is bonded in a distorted single-bond geometry to one Sn4+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Se, and one O2- atom. The O–O bond length is 1.44 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one Se atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Se atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one O2- atom.},
doi = {10.17188/1709160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}