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Title: Materials Data on ZnReO4 by Materials Project

Abstract

ReZnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent ZnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There is two shorter (1.85 Å) and four longer (2.00 Å) Re–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. All Zn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Zn2+ atom.

Publication Date:
Other Number(s):
mp-755594
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; ZnReO4; O-Re-Zn
OSTI Identifier:
1290099
DOI:
10.17188/1290099

Citation Formats

The Materials Project. Materials Data on ZnReO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290099.
The Materials Project. Materials Data on ZnReO4 by Materials Project. United States. doi:10.17188/1290099.
The Materials Project. 2020. "Materials Data on ZnReO4 by Materials Project". United States. doi:10.17188/1290099. https://www.osti.gov/servlets/purl/1290099. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1290099,
title = {Materials Data on ZnReO4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReZnO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent ZnO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There is two shorter (1.85 Å) and four longer (2.00 Å) Re–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with eight equivalent ReO6 octahedra and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. All Zn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Re6+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Re6+ and one Zn2+ atom.},
doi = {10.17188/1290099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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