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Title: Materials Data on Rb2Se5 by Materials Project

Abstract

Rb2Se5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–3.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–3.97 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 7-coordinate geometry to six Rb1+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.40 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to four Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.37 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five Rb1+ andmore » one Se+0.40- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-620372
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; Rb2Se5; Rb-Se
OSTI Identifier:
1278025
DOI:
10.17188/1278025

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2Se5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278025.
Persson, Kristin, & Project, Materials. Materials Data on Rb2Se5 by Materials Project. United States. doi:10.17188/1278025.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2Se5 by Materials Project". United States. doi:10.17188/1278025. https://www.osti.gov/servlets/purl/1278025. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1278025,
title = {Materials Data on Rb2Se5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2Se5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–3.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–3.97 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 7-coordinate geometry to six Rb1+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.40 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to four Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.37 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one Se+0.40- atom.},
doi = {10.17188/1278025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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