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Title: Materials Data on Re3Se4O9 by Materials Project

Abstract

Re3Se4O3(O2)3 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen hydrogen peroxide molecules and three Re3Se4O3 clusters. In each Re3Se4O3 cluster, Re+6.67+ is bonded in a distorted single-bond geometry to four Se+0.50- and one O2- atom. There are a spread of Re–Se bond distances ranging from 2.52–2.54 Å. The Re–O bond length is 1.70 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. In the second Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. O2- is bonded in a single-bond geometry to one Re+6.67+ atom.

Publication Date:
Other Number(s):
mp-1201990
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; Re3Se4O9; O-Re-Se
OSTI Identifier:
1750978
DOI:
https://doi.org/10.17188/1750978

Citation Formats

The Materials Project. Materials Data on Re3Se4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750978.
The Materials Project. Materials Data on Re3Se4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1750978
The Materials Project. 2020. "Materials Data on Re3Se4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1750978. https://www.osti.gov/servlets/purl/1750978. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1750978,
title = {Materials Data on Re3Se4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Re3Se4O3(O2)3 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen hydrogen peroxide molecules and three Re3Se4O3 clusters. In each Re3Se4O3 cluster, Re+6.67+ is bonded in a distorted single-bond geometry to four Se+0.50- and one O2- atom. There are a spread of Re–Se bond distances ranging from 2.52–2.54 Å. The Re–O bond length is 1.70 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. In the second Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. O2- is bonded in a single-bond geometry to one Re+6.67+ atom.},
doi = {10.17188/1750978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}