U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-Re-Zn; ZnReO4; crystal structure
- OSTI Identifier:
- 1290099
- DOI:
- https://doi.org/10.17188/1290099
Citation Formats
Materials Data on ZnReO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290099.
Materials Data on ZnReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290099
2020.
"Materials Data on ZnReO4 by Materials Project". United States. doi:https://doi.org/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},
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}
}