Materials Data on Mn2CuNiSb2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1721119· OSTI ID:1721119

Mn2NiCuSb2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 10-coordinate geometry to three equivalent Cu1+ and six Sb3- atoms. All Mn–Cu bond lengths are 2.62 Å. There are three shorter (3.00 Å) and three longer (3.07 Å) Mn–Sb bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to one Cu1+ and six Sb3- atoms. The Mn–Cu bond length is 2.66 Å. There are three shorter (2.94 Å) and three longer (3.00 Å) Mn–Sb bond lengths. Ni1+ is bonded to four Sb3- atoms to form distorted corner-sharing NiSb4 tetrahedra. There are one shorter (2.56 Å) and three longer (2.58 Å) Ni–Sb bond lengths. Cu1+ is bonded in a distorted body-centered cubic geometry to four Mn2+ and four Sb3- atoms. There are three shorter (2.62 Å) and one longer (2.65 Å) Cu–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to six Mn2+, three equivalent Ni1+, and one Cu1+ atom. In the second Sb3- site, Sb3- is bonded in a 10-coordinate geometry to six Mn2+, one Ni1+, and three equivalent Cu1+ 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: 1721119
• Report Number(s): mp-1221889
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Mn-Ni-Sb
Mn2CuNiSb2
crystal structure