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Title: Materials Data on Yb3W by Materials Project

Abstract

Yb3W is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded to four Yb and four W atoms to form a mixture of distorted edge, corner, and face-sharing YbYb4W4 tetrahedra. All Yb–Yb bond lengths are 3.25 Å. All Yb–W bond lengths are 3.25 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to eight equivalent Yb and six W atoms. There are four shorter (3.74 Å) and two longer (3.77 Å) Yb–W bond lengths. In the third Yb site, Yb is bonded in a 12-coordinate geometry to eight equivalent Yb and six W atoms. There are four shorter (3.74 Å) and two longer (3.77 Å) Yb–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. In the second W site, W is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.

Authors:
Publication Date:
Other Number(s):
mp-979939
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; Yb3W; W-Yb
OSTI Identifier:
1316175
DOI:
https://doi.org/10.17188/1316175

Citation Formats

The Materials Project. Materials Data on Yb3W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316175.
The Materials Project. Materials Data on Yb3W by Materials Project. United States. doi:https://doi.org/10.17188/1316175
The Materials Project. 2020. "Materials Data on Yb3W by Materials Project". United States. doi:https://doi.org/10.17188/1316175. https://www.osti.gov/servlets/purl/1316175. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316175,
title = {Materials Data on Yb3W by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3W is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded to four Yb and four W atoms to form a mixture of distorted edge, corner, and face-sharing YbYb4W4 tetrahedra. All Yb–Yb bond lengths are 3.25 Å. All Yb–W bond lengths are 3.25 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to eight equivalent Yb and six W atoms. There are four shorter (3.74 Å) and two longer (3.77 Å) Yb–W bond lengths. In the third Yb site, Yb is bonded in a 12-coordinate geometry to eight equivalent Yb and six W atoms. There are four shorter (3.74 Å) and two longer (3.77 Å) Yb–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. In the second W site, W is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.},
doi = {10.17188/1316175},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}