Materials Data on Mn2SnPd3 by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1663853· OSTI ID:1663853

Mn2Pd3Sn is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Pd atoms. There are six shorter (2.75 Å) and two longer (2.83 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.66–2.83 Å. In the third Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Mn–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to four Mn and four equivalent Sn atoms. There are three shorter (2.76 Å) and one longer (2.80 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a distorted body-centered cubic geometry to seven Mn and one Sn atom. The Pd–Sn bond length is 2.81 Å. In the third Pd site, Pd is bonded in a body-centered cubic geometry to five Mn and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.76 Å. Sn is bonded in a distorted body-centered cubic geometry to eight Pd 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: 1663853
• Report Number(s): mp-1221536
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mn-Pd-Sn
Mn2SnPd3
crystal structure