Materials Data on MnAsPd by Materials Project

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

DOI:https://doi.org/10.17188/1712038· OSTI ID:1712038

MnPdAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Pd and five As atoms. There are two shorter (2.89 Å) and four longer (3.04 Å) Mn–Pd bond lengths. There are one shorter (2.72 Å) and four longer (2.76 Å) Mn–As bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.50 Å) and two longer (2.56 Å) Pd–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Pd atoms. In the second As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent 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: 1712038
• Report Number(s): mp-1079035
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Mn-Pd
MnAsPd
crystal structure