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Title: Materials Data on ZnWO3 by Materials Project

Abstract

WZnO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 8–12°. There are a spread of W–O bond distances ranging from 1.95–2.05 Å. Zn2+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.11–2.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to two equivalent W4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-5731
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; ZnWO3; O-W-Zn
OSTI Identifier:
1321504
DOI:
https://doi.org/10.17188/1321504

Citation Formats

The Materials Project. Materials Data on ZnWO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321504.
The Materials Project. Materials Data on ZnWO3 by Materials Project. United States. doi:https://doi.org/10.17188/1321504
The Materials Project. 2020. "Materials Data on ZnWO3 by Materials Project". United States. doi:https://doi.org/10.17188/1321504. https://www.osti.gov/servlets/purl/1321504. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1321504,
title = {Materials Data on ZnWO3 by Materials Project},
author = {The Materials Project},
abstractNote = {WZnO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 8–12°. There are a spread of W–O bond distances ranging from 1.95–2.05 Å. Zn2+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.11–2.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to two equivalent W4+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent W4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1321504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}