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Title: Materials Data on ReSbH4O7 by Materials Project

Abstract

ReSb(HO3)2H2O crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of eight water molecules and four ReSb(HO3)2 ribbons oriented in the (1, 0, 0) direction. In each ReSb(HO3)2 ribbon, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.78 Å) Re–O bond length. Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.50 Å. There are two 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 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. 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 distorted single-bond geometry to one Re7+ and one Sb3+ atom. In the fourth O2- site, O2- is bondedmore » in a distorted bent 120 degrees geometry to two equivalent Sb3+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Sb3+ and two H1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-695995
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; ReSbH4O7; H-O-Re-Sb
OSTI Identifier:
1284933
DOI:
10.17188/1284933

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ReSbH4O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284933.
Persson, Kristin, & Project, Materials. Materials Data on ReSbH4O7 by Materials Project. United States. doi:10.17188/1284933.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ReSbH4O7 by Materials Project". United States. doi:10.17188/1284933. https://www.osti.gov/servlets/purl/1284933. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284933,
title = {Materials Data on ReSbH4O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ReSb(HO3)2H2O crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of eight water molecules and four ReSb(HO3)2 ribbons oriented in the (1, 0, 0) direction. In each ReSb(HO3)2 ribbon, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.78 Å) Re–O bond length. Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.50 Å. There are two 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 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. 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 distorted single-bond geometry to one Re7+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb3+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Sb3+ and two H1+ atoms.},
doi = {10.17188/1284933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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