Materials Data on MnV(Ni2Sn)2 by Materials Project

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

DOI:https://doi.org/10.17188/1732916· OSTI ID:1732916

VMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are two shorter (2.62 Å) and six longer (2.63 Å) V–Ni bond lengths. All V–Sn bond lengths are 3.03 Å. Mn is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. All Mn–Ni bond lengths are 2.63 Å. All Mn–Sn bond lengths are 3.04 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.63 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. All Ni–V bond lengths are 2.63 Å. The Ni–Mn bond length is 2.63 Å. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. All Ni–V bond lengths are 2.63 Å. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. Sn is bonded in a 8-coordinate geometry to three equivalent V, three equivalent Mn, and eight 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: 1732916
• Report Number(s): mp-1221615
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mn-Ni-Sn-V
MnV(Ni2Sn)2
crystal structure