U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ReH3O5 by Materials Project
Abstract
H(ReO4)H2O crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two H(ReO4)H2O ribbons oriented in the (0, 0, 1) and (1, 0, 1) directions. In one of the H(ReO4)H2O ribbons, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are three inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.45 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. 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 bent 150 degrees geometry to one Re7+ and one H1+ atom. In the third O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-626799
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ReH3O5; H-O-Re
- OSTI Identifier:
- 1278807
- DOI:
- https://doi.org/10.17188/1278807
Citation Formats
The Materials Project. Materials Data on ReH3O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278807.
The Materials Project. Materials Data on ReH3O5 by Materials Project. United States. doi:https://doi.org/10.17188/1278807
The Materials Project. 2020.
"Materials Data on ReH3O5 by Materials Project". United States. doi:https://doi.org/10.17188/1278807. https://www.osti.gov/servlets/purl/1278807. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1278807,
title = {Materials Data on ReH3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {H(ReO4)H2O crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two H(ReO4)H2O ribbons oriented in the (0, 0, 1) and (1, 0, 1) directions. In one of the H(ReO4)H2O ribbons, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are three inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.45 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. 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 bent 150 degrees geometry to one Re7+ and one H1+ 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 150 degrees geometry to one Re7+ and one H1+ atom. In one of the H(ReO4)H2O ribbons, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.73–1.78 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.47 Å) H–O bond length. 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 bent 150 degrees geometry to one Re7+ and one H1+ 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 bent 150 degrees geometry to one Re7+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1278807},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}