Materials Data on MnCoSb by Materials Project

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

DOI:https://doi.org/10.17188/1680438· OSTI ID:1680438

CoMnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Co1+ and four equivalent Sb3- atoms to form distorted MnCo4Sb4 tetrahedra that share corners with twelve equivalent SbMn4Co6 tetrahedra, edges with twelve equivalent MnCo4Sb4 tetrahedra, and faces with four equivalent SbMn4Co6 tetrahedra. All Mn–Co bond lengths are 2.52 Å. All Mn–Sb bond lengths are 2.52 Å. Co1+ is bonded in a 10-coordinate geometry to four equivalent Mn2+ and six equivalent Sb3- atoms. All Co–Sb bond lengths are 2.91 Å. Sb3- is bonded to four equivalent Mn2+ and six equivalent Co1+ atoms to form distorted SbMn4Co6 tetrahedra that share corners with six equivalent SbMn4Co6 tetrahedra, corners with twelve equivalent MnCo4Sb4 tetrahedra, faces with four equivalent MnCo4Sb4 tetrahedra, and faces with twelve equivalent SbMn4Co6 tetrahedra.

• 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: 1680438
• Report Number(s): mp-1221625
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Mn-Sb
MnCoSb
crystal structure