U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-979939
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; W-Yb; Yb3W; crystal structure
- OSTI Identifier:
- 1316175
- DOI:
- https://doi.org/10.17188/1316175
Citation Formats
Materials Data on Yb3W by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316175.
Materials Data on Yb3W by Materials Project. United States. doi:https://doi.org/10.17188/1316175
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 04:00:00 UTC 2020
@article{osti_1316175,
title = {Materials Data on Yb3W by 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}
}