Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Materials Data on ZrSn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1672389· OSTI ID:1672389
ZrSn crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.05–3.19 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to five Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.94–3.32 Å. In the third Zr site, Zr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.99–3.18 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Zr atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three Zr atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to five Zr atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1672389
Report Number(s):
mp-1094276
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on ZrSn by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1751965

Materials Data on ZrSn by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1662491

Materials Data on ZrSn by Materials Project
Dataset · Mon May 04 00:00:00 EDT 2020 · OSTI ID:1708479