Materials Data on ZrSn by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1674760· OSTI ID:1674760

ZrSn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to five Zr and seven Sn atoms. There are a spread of Zr–Zr bond distances ranging from 3.00–3.31 Å. There are a spread of Zr–Sn bond distances ranging from 2.98–3.28 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.05–3.23 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted hexagonal planar geometry to six Zr atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Zr atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six 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: 1674760
• Report Number(s): mp-1094542
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Sn-Zr
ZrSn
crystal structure