Materials Data on Zr5Sn4 by Materials Project
Abstract
Zr5Sn4 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 six equivalent Sn atoms. All Zr–Sn bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ZrSn7 pentagonal bipyramids. There are a spread of Zr–Sn bond distances ranging from 2.90–3.13 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Zr atoms to form distorted face-sharing SnZr6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-543001
- 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; Zr5Sn4; Sn-Zr
- OSTI Identifier:
- 1266870
- DOI:
- https://doi.org/10.17188/1266870
Citation Formats
The Materials Project. Materials Data on Zr5Sn4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266870.
The Materials Project. Materials Data on Zr5Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1266870
The Materials Project. 2020.
"Materials Data on Zr5Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1266870. https://www.osti.gov/servlets/purl/1266870. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266870,
title = {Materials Data on Zr5Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5Sn4 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 six equivalent Sn atoms. All Zr–Sn bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ZrSn7 pentagonal bipyramids. There are a spread of Zr–Sn bond distances ranging from 2.90–3.13 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Zr atoms to form distorted face-sharing SnZr6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1266870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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