Materials Data on Th(NiSn)2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316240· OSTI ID:1316240

Th(NiSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ni and eight Sn atoms. There are four shorter (3.25 Å) and four longer (3.44 Å) Th–Ni bond lengths. There are four shorter (3.33 Å) and four longer (3.49 Å) Th–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Th and five Sn atoms. There are one shorter (2.49 Å) and four longer (2.57 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Th and five Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ni 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: 1316240
• Report Number(s): mp-980110
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ni-Sn-Th
Th(NiSn)2
crystal structure