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Title: Materials Data on CuReO4 by Materials Project

Abstract

CuReO4 is Brookite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.78–2.24 Å. Cu1+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.04–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-755115
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; CuReO4; Cu-O-Re
OSTI Identifier:
1289808
DOI:
https://doi.org/10.17188/1289808

Citation Formats

The Materials Project. Materials Data on CuReO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289808.
The Materials Project. Materials Data on CuReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289808
The Materials Project. 2020. "Materials Data on CuReO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289808. https://www.osti.gov/servlets/purl/1289808. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289808,
title = {Materials Data on CuReO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuReO4 is Brookite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.78–2.24 Å. Cu1+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.04–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re7+ and one Cu1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Re7+ and two equivalent Cu1+ atoms.},
doi = {10.17188/1289808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}