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Title: Materials Data on Re3O8 by Materials Project

Abstract

Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32795
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; Re3O8; O-Re
OSTI Identifier:
1206383
DOI:
10.17188/1206383

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206383.
Persson, Kristin, & Project, Materials. Materials Data on Re3O8 by Materials Project. United States. doi:10.17188/1206383.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re3O8 by Materials Project". United States. doi:10.17188/1206383. https://www.osti.gov/servlets/purl/1206383. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1206383,
title = {Materials Data on Re3O8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ atoms.},
doi = {10.17188/1206383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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