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Title: Materials Data on Re2H4O9 by Materials Project

Abstract

Re2H4O9 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of one Re2H4O9 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.76–2.11 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are four 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 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 two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99more » Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Re7+ 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 bent 120 degrees geometry to one Re7+ and one H1+ 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 distorted linear geometry to one Re7+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Re7+ and one H1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625142
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; Re2H4O9; H-O-Re
OSTI Identifier:
1278307
DOI:
10.17188/1278307

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re2H4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278307.
Persson, Kristin, & Project, Materials. Materials Data on Re2H4O9 by Materials Project. United States. doi:10.17188/1278307.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re2H4O9 by Materials Project". United States. doi:10.17188/1278307. https://www.osti.gov/servlets/purl/1278307. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278307,
title = {Materials Data on Re2H4O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re2H4O9 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of one Re2H4O9 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.76–2.11 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. There are four 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 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 two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the fourth 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 nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Re7+ 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 bent 120 degrees geometry to one Re7+ and one H1+ 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 distorted linear geometry to one Re7+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Re7+ and one H1+ atom.},
doi = {10.17188/1278307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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