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Title: Materials Data on Zr5Sn3B by Materials Project

Abstract

Zr5BSn3 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 3.00 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Sn atoms. Both Zr–B bond lengths are 2.45 Å. There are a spread of Zr–Sn bond distances ranging from 2.97–3.26 Å. B is bonded to six equivalent Zr atoms to form face-sharing BZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188408
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; Zr5Sn3B; B-Sn-Zr
OSTI Identifier:
1741684
DOI:
https://doi.org/10.17188/1741684

Citation Formats

The Materials Project. Materials Data on Zr5Sn3B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741684.
The Materials Project. Materials Data on Zr5Sn3B by Materials Project. United States. doi:https://doi.org/10.17188/1741684
The Materials Project. 2020. "Materials Data on Zr5Sn3B by Materials Project". United States. doi:https://doi.org/10.17188/1741684. https://www.osti.gov/servlets/purl/1741684. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741684,
title = {Materials Data on Zr5Sn3B by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5BSn3 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 3.00 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Sn atoms. Both Zr–B bond lengths are 2.45 Å. There are a spread of Zr–Sn bond distances ranging from 2.97–3.26 Å. B is bonded to six equivalent Zr atoms to form face-sharing BZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1741684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}