DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zr3W5 by Materials Project

Abstract

W5Zr3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to ten W atoms. There are a spread of Zr–W bond distances ranging from 2.69–3.13 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to two equivalent Zr and eight equivalent W atoms. Both Zr–Zr bond lengths are 2.66 Å. All Zr–W bond lengths are 3.12 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to four equivalent Zr and ten W atoms. There are two shorter (2.66 Å) and eight longer (2.97 Å) W–W bond lengths. In the second W site, W is bonded in a 2-coordinate geometry to six Zr and two equivalent W atoms.

Publication Date:
Other Number(s):
mp-1188207
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; Zr3W5; W-Zr
OSTI Identifier:
1664097
DOI:
https://doi.org/10.17188/1664097

Citation Formats

The Materials Project. Materials Data on Zr3W5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664097.
The Materials Project. Materials Data on Zr3W5 by Materials Project. United States. doi:https://doi.org/10.17188/1664097
The Materials Project. 2020. "Materials Data on Zr3W5 by Materials Project". United States. doi:https://doi.org/10.17188/1664097. https://www.osti.gov/servlets/purl/1664097. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1664097,
title = {Materials Data on Zr3W5 by Materials Project},
author = {The Materials Project},
abstractNote = {W5Zr3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to ten W atoms. There are a spread of Zr–W bond distances ranging from 2.69–3.13 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to two equivalent Zr and eight equivalent W atoms. Both Zr–Zr bond lengths are 2.66 Å. All Zr–W bond lengths are 3.12 Å. There are two inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to four equivalent Zr and ten W atoms. There are two shorter (2.66 Å) and eight longer (2.97 Å) W–W bond lengths. In the second W site, W is bonded in a 2-coordinate geometry to six Zr and two equivalent W atoms.},
doi = {10.17188/1664097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}