U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2MoWO6 by Materials Project
Abstract
WMoZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W2+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MoO6 octahedra and corners with eight equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of W–O bond distances ranging from 1.98–2.09 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent WO6 octahedra and corners with eight equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Mo–O bond distances ranging from 2.15–2.21 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent WO6 octahedra, corners with four equivalent MoO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 62–83°. There are a spread of Zn–O bond distances ranging from 2.01–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W2+, one Mo6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5052
- 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; Zn2MoWO6; Mo-O-W-Zn
- OSTI Identifier:
- 1321238
- DOI:
- https://doi.org/10.17188/1321238
Citation Formats
The Materials Project. Materials Data on Zn2MoWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321238.
The Materials Project. Materials Data on Zn2MoWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321238
The Materials Project. 2020.
"Materials Data on Zn2MoWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321238. https://www.osti.gov/servlets/purl/1321238. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1321238,
title = {Materials Data on Zn2MoWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WMoZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W2+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MoO6 octahedra and corners with eight equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of W–O bond distances ranging from 1.98–2.09 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent WO6 octahedra and corners with eight equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Mo–O bond distances ranging from 2.15–2.21 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent WO6 octahedra, corners with four equivalent MoO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 62–83°. There are a spread of Zn–O bond distances ranging from 2.01–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one W2+, one Mo6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W2+, one Mo6+, and one Zn2+ atom. In the third O2- site, O2- is bonded to one W2+, one Mo6+, and two equivalent Zn2+ atoms to form distorted corner-sharing OZn2MoW tetrahedra.},
doi = {10.17188/1321238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}