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

Title: Materials Data on ReH3O5 by Materials Project

Abstract

H(ReO4)H2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two H(ReO4)H2O clusters. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.79 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.36 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2-more » is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-626819
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; ReH3O5; H-O-Re
OSTI Identifier:
1278811
DOI:
10.17188/1278811

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ReH3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278811.
Persson, Kristin, & Project, Materials. Materials Data on ReH3O5 by Materials Project. United States. doi:10.17188/1278811.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ReH3O5 by Materials Project". United States. doi:10.17188/1278811. https://www.osti.gov/servlets/purl/1278811. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278811,
title = {Materials Data on ReH3O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {H(ReO4)H2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two H(ReO4)H2O clusters. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.79 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.36 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom.},
doi = {10.17188/1278811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: