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Title: Materials Data on Re3O10 by Materials Project

Abstract

Re3O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Re+6.67+ sites. In the first Re+6.67+ site, Re+6.67+ is bonded to five O2- atoms to form corner-sharing ReO5 square pyramids. There are a spread of Re–O bond distances ranging from 1.88–1.90 Å. In the second Re+6.67+ site, Re+6.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.85–2.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+6.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re+6.67+ and one O2- atom. The O–O bond length is 1.45 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Re+6.67+ and one O2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1173333
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; Re3O10; O-Re
OSTI Identifier:
1674805
DOI:
https://doi.org/10.17188/1674805

Citation Formats

The Materials Project. Materials Data on Re3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674805.
The Materials Project. Materials Data on Re3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1674805
The Materials Project. 2020. "Materials Data on Re3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1674805. https://www.osti.gov/servlets/purl/1674805. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674805,
title = {Materials Data on Re3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Re3O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Re+6.67+ sites. In the first Re+6.67+ site, Re+6.67+ is bonded to five O2- atoms to form corner-sharing ReO5 square pyramids. There are a spread of Re–O bond distances ranging from 1.88–1.90 Å. In the second Re+6.67+ site, Re+6.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.85–2.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+6.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re+6.67+ and one O2- atom. The O–O bond length is 1.45 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Re+6.67+ and one O2- atom.},
doi = {10.17188/1674805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}