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Title: Materials Data on Zn2MoWO6 by Materials Project

Abstract

WMoZn2O6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one WMoZn2O6 sheet oriented in the (0, 1, -1) direction. W2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.77–1.94 Å. Mo6+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.28 Å) and one longer (1.37 Å) Mo–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.74–2.42 Å. In the second Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.46–2.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate 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 in a 1-coordinate geometry tomore » one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to one W2+ and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one W2+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to two Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-6039
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:
1321858
DOI:
https://doi.org/10.17188/1321858

Citation Formats

The Materials Project. Materials Data on Zn2MoWO6 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1321858.
The Materials Project. Materials Data on Zn2MoWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1321858
The Materials Project. 2014. "Materials Data on Zn2MoWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1321858. https://www.osti.gov/servlets/purl/1321858. Pub date:Sun Feb 09 00:00:00 EST 2014
@article{osti_1321858,
title = {Materials Data on Zn2MoWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {WMoZn2O6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one WMoZn2O6 sheet oriented in the (0, 1, -1) direction. W2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.77–1.94 Å. Mo6+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.28 Å) and one longer (1.37 Å) Mo–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.74–2.42 Å. In the second Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.46–2.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate 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 in a 1-coordinate geometry to one Zn2+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to one W2+ and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one W2+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to two Zn2+ atoms.},
doi = {10.17188/1321858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}