U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr5CuSn3 by Materials Project
Abstract
Zr5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Sn atoms. Both Zr–Zr bond lengths are 2.94 Å. All Zr–Sn bond lengths are 3.07 Å. In the second Zr site, Zr is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing ZrCu2Sn5 pentagonal bipyramids. Both Zr–Cu bond lengths are 2.73 Å. There are a spread of Zr–Sn bond distances ranging from 2.96–3.11 Å. Cu is bonded to six equivalent Zr atoms to form face-sharing CuZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
- Publication Date:
- Other Number(s):
- mp-1106301
- 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; crystal structure; Cu-Sn-Zr; Zr5CuSn3
- OSTI Identifier:
- 1651853
- DOI:
- https://doi.org/10.17188/1651853
Citation Formats
Materials Data on Zr5CuSn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651853.
Materials Data on Zr5CuSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1651853
2020.
"Materials Data on Zr5CuSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1651853. https://www.osti.gov/servlets/purl/1651853. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1651853,
title = {Materials Data on Zr5CuSn3 by Materials Project},
abstractNote = {Zr5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Sn atoms. Both Zr–Zr bond lengths are 2.94 Å. All Zr–Sn bond lengths are 3.07 Å. In the second Zr site, Zr is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing ZrCu2Sn5 pentagonal bipyramids. Both Zr–Cu bond lengths are 2.73 Å. There are a spread of Zr–Sn bond distances ranging from 2.96–3.11 Å. Cu is bonded to six equivalent Zr atoms to form face-sharing CuZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1651853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}